4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide

C23H25ClN6O2 — CID 165415040

IUPAC4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccc2Cl)nn1C1CCCC1
InChIInChI=1S/C23H25ClN6O2/c1-28-21(17(14-25-28)23(32)29-11-6-12-29)22(31)26-20-13-19(16-9-4-5-10-18(16)24)27-30(20)15-7-2-3-8-15/h4-5,9-10,13-15H,2-3,6-8,11-12H2,1H3,(H,26,31)
InChIKeyWIERSHSQXASLPT-UHFFFAOYSA-N
MW452.95 g/mol
LogP4.15
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415040) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415040
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccc2Cl)nn1C1CCCC1
InChIInChI=1S/C23H25ClN6O2/c1-28-21(17(14-25-28)23(32)29-11-6-12-29)22(31)26-20-13-19(16-9-4-5-10-18(16)24)27-30(20)15-7-2-3-8-15/h4-5,9-10,13-15H,2-3,6-8,11-12H2,1H3,(H,26,31)
InChIKeyWIERSHSQXASLPT-UHFFFAOYSA-N
XLogP4.15
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 71288717
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
CID 165415136
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288578
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
CID 1223565
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 165368460
4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165415022
4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415232
4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415305
4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415319
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415326
4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415386

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide (CID 165415040) is 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccc2Cl)nn1C1CCCC1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WIERSHSQXASLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-28-21(17(14-25-28)23(32)29-11-6-12-29)22(31)26-20-13-19(16-9-4-5-10-18(16)24)27-30(20)15-7-2-3-8-15/h4-5,9-10,13-15H,2-3,6-8,11-12H2,1H3,(H,26,31).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).