N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid

C24H35F3N6O5 — CID 164879441

IUPACN-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid
SMILESCC1(NC(=O)O)CC1.Cn1nc(COCC(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)nn1C(C)(C)C
InChIInChI=1S/C19H26F3N5O3.C5H9NO2/c1-18(2,3)27-16(9-13(25-27)15-6-5-7-30-15)23-17(28)14-8-12(24-26(14)4)10-29-11-19(20,21)22;1-5(2-3-5)6-4(7)8/h8-9,15H,5-7,10-11H2,1-4H3,(H,23,28);6H,2-3H2,1H3,(H,7,8)/t15-;/m1./s1
InChIKeyRGPPGZWLXWASGD-XFULWGLBSA-N
MW544.58 g/mol
LogP4.36
Rot. Bonds7

About N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid

N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid (PubChem CID 164879441) has the molecular formula C24H35F3N6O5 and a molecular weight of 544.58 g/mol. Its IUPAC name is N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid.

Molecular Properties

Compound NameN-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid
PubChem CID164879441
Molecular FormulaC24H35F3N6O5
Molecular Weight544.58 g/mol
Exact Mass544.26
IUPAC NameN-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid
SMILESCC1(NC(=O)O)CC1.Cn1nc(COCC(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)nn1C(C)(C)C
InChIInChI=1S/C19H26F3N5O3.C5H9NO2/c1-18(2,3)27-16(9-13(25-27)15-6-5-7-30-15)23-17(28)14-8-12(24-26(14)4)10-29-11-19(20,21)22;1-5(2-3-5)6-4(7)8/h8-9,15H,5-7,10-11H2,1-4H3,(H,23,28);6H,2-3H2,1H3,(H,7,8)/t15-;/m1./s1
InChIKeyRGPPGZWLXWASGD-XFULWGLBSA-N
XLogP4.36
TPSA132.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.58
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid?
The IUPAC name of N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid (CID 164879441) is N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid.
What is the SMILES notation for N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid?
The canonical SMILES for N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid is CC1(NC(=O)O)CC1.Cn1nc(COCC(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)nn1C(C)(C)C.
What is the InChIKey of N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid?
The InChIKey is RGPPGZWLXWASGD-XFULWGLBSA-N. The full InChI is InChI=1S/C19H26F3N5O3.C5H9NO2/c1-18(2,3)27-16(9-13(25-27)15-6-5-7-30-15)23-17(28)14-8-12(24-26(14)4)10-29-11-19(20,21)22;1-5(2-3-5)6-4(7)8/h8-9,15H,5-7,10-11H2,1-4H3,(H,23,28);6H,2-3H2,1H3,(H,7,8)/t15-;/m1./s1.
What are the key properties of N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid?
N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid has a molecular weight of 544.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]-1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid is sourced from PubChem (CID 164879441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).