1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole

C76H117Cl3N22O10S — CID 158732053

IUPAC1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole
SMILESC.C.C.C.C.CN1CCC(O)C1.CN1CCC(OS(C)(=O)=O)C1.CN1CCC(n2cc(Cc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)C1.CN1CCC(n2cc(N)cn2)C1.CN1CCC(n2cc([N+](=O)[O-])cn2)C1.NC(=O)C1(c2ccccc2CCc2nc(Cl)ncc2Cl)CC1.O=[N+]([O-])c1cn[nH]c1
InChIInChI=1S/C25H29ClN6O.C16H15Cl2N3O.C8H12N4O2.C8H14N4.C6H13NO3S.C5H11NO.C3H3N3O2.5CH4/c1-31-11-8-19(16-31)32-15-17(13-29-32)12-23-28-14-21(26)22(30-23)7-6-18-4-2-3-5-20(18)25(9-10-25)24(27)33;17-12-9-20-15(18)21-13(12)6-5-10-3-1-2-4-11(10)16(7-8-16)14(19)22;1-10-3-2-7(5-10)11-6-8(4-9-11)12(13)14;1-11-3-2-8(6-11)12-5-7(9)4-10-12;1-7-4-3-6(5-7)10-11(2,8)9;1-6-3-2-5(7)4-6;7-6(8)3-1-4-5-2-3;;;;;/h2-5,13-15,19H,6-12,16H2,1H3,(H2,27,33);1-4,9H,5-8H2,(H2,19,22);4,6-7H,2-3,5H2,1H3;4-5,8H,2-3,6,9H2,1H3;6H,3-5H2,1-2H3;5,7H,2-4H2,1H3;1-2H,(H,4,5);5*1H4
InChIKeyILFHBTJWPMAXTN-UHFFFAOYSA-N
MW1637.34 g/mol
LogP10.04
Rot. Bonds19

About 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole

1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole (PubChem CID 158732053) has the molecular formula C76H117Cl3N22O10S and a molecular weight of 1637.34 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole
PubChem CID158732053
Molecular FormulaC76H117Cl3N22O10S
Molecular Weight1637.34 g/mol
Exact Mass1634.81
IUPAC Name1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole
SMILESC.C.C.C.C.CN1CCC(O)C1.CN1CCC(OS(C)(=O)=O)C1.CN1CCC(n2cc(Cc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)C1.CN1CCC(n2cc(N)cn2)C1.CN1CCC(n2cc([N+](=O)[O-])cn2)C1.NC(=O)C1(c2ccccc2CCc2nc(Cl)ncc2Cl)CC1.O=[N+]([O-])c1cn[nH]c1
InChIInChI=1S/C25H29ClN6O.C16H15Cl2N3O.C8H12N4O2.C8H14N4.C6H13NO3S.C5H11NO.C3H3N3O2.5CH4/c1-31-11-8-19(16-31)32-15-17(13-29-32)12-23-28-14-21(26)22(30-23)7-6-18-4-2-3-5-20(18)25(9-10-25)24(27)33;17-12-9-20-15(18)21-13(12)6-5-10-3-1-2-4-11(10)16(7-8-16)14(19)22;1-10-3-2-7(5-10)11-6-8(4-9-11)12(13)14;1-11-3-2-8(6-11)12-5-7(9)4-10-12;1-7-4-3-6(5-7)10-11(2,8)9;1-6-3-2-5(7)4-6;7-6(8)3-1-4-5-2-3;;;;;/h2-5,13-15,19H,6-12,16H2,1H3,(H2,27,33);1-4,9H,5-8H2,(H2,19,22);4,6-7H,2-3,5H2,1H3;4-5,8H,2-3,6,9H2,1H3;6H,3-5H2,1-2H3;5,7H,2-4H2,1H3;1-2H,(H,4,5);5*1H4
InChIKeyILFHBTJWPMAXTN-UHFFFAOYSA-N
XLogP10.04
TPSA411.98 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.34
LogP ≤ 510.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole?
The IUPAC name of 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole (CID 158732053) is 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole.
What is the SMILES notation for 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole?
The canonical SMILES for 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole is C.C.C.C.C.CN1CCC(O)C1.CN1CCC(OS(C)(=O)=O)C1.CN1CCC(n2cc(Cc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)C1.CN1CCC(n2cc(N)cn2)C1.CN1CCC(n2cc([N+](=O)[O-])cn2)C1.NC(=O)C1(c2ccccc2CCc2nc(Cl)ncc2Cl)CC1.O=[N+]([O-])c1cn[nH]c1.
What is the InChIKey of 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole?
The InChIKey is ILFHBTJWPMAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O.C16H15Cl2N3O.C8H12N4O2.C8H14N4.C6H13NO3S.C5H11NO.C3H3N3O2.5CH4/c1-31-11-8-19(16-31)32-15-17(13-29-32)12-23-28-14-21(26)22(30-23)7-6-18-4-2-3-5-20(18)25(9-10-25)24(27)33;17-12-9-20-15(18)21-13(12)6-5-10-3-1-2-4-11(10)16(7-8-16)14(19)22;1-10-3-2-7(5-10)11-6-8(4-9-11)12(13)14;1-11-3-2-8(6-11)12-5-7(9)4-10-12;1-7-4-3-6(5-7)10-11(2,8)9;1-6-3-2-5(7)4-6;7-6(8)3-1-4-5-2-3;;;;;/h2-5,13-15,19H,6-12,16H2,1H3,(H2,27,33);1-4,9H,5-8H2,(H2,19,22);4,6-7H,2-3,5H2,1H3;4-5,8H,2-3,6,9H2,1H3;6H,3-5H2,1-2H3;5,7H,2-4H2,1H3;1-2H,(H,4,5);5*1H4.
What are the key properties of 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole?
1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole has a molecular weight of 1637.34 g/mol, XLogP of 10.04, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-2-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrrolidin-3-ol;(1-methylpyrrolidin-3-yl) methanesulfonate;1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;4-nitro-1H-pyrazole is sourced from PubChem (CID 158732053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).