(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide

C17H19N7O — CID 164635700

IUPAC(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1nccc1[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C17H19N7O/c1-22-15(6-9-19-22)16-3-2-10-23(16)17(25)21-13-11-20-24(12-13)14-4-7-18-8-5-14/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyBRNHPBYCEDJUDQ-INIZCTEOSA-N
MW337.39 g/mol
LogP2.37
Rot. Bonds3

About (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide

(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 164635700) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID164635700
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1nccc1[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C17H19N7O/c1-22-15(6-9-19-22)16-3-2-10-23(16)17(25)21-13-11-20-24(12-13)14-4-7-18-8-5-14/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyBRNHPBYCEDJUDQ-INIZCTEOSA-N
XLogP2.37
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-phenylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484735
N-(1-methylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484715
N-(1-ethylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484717
1-(1-Methylpyrazol-4-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 152012411
N-[6-(1-propyl-1H-pyrazol-4-yl)pyridin-3-yl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509949
N-{6-[1-(3-methylbutyl)-1H-pyrazol-4-yl]pyridin-3-yl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509950
N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448723
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 168298979
US10189845, Example 40
CID 121390903
US10189845, Example 39
CID 121390963
US10189845, Example 34
CID 121391014
US10189845, Example 35
CID 121391094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 164635700) is (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cn1nccc1[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccncc2)c1.
What is the InChIKey of (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is BRNHPBYCEDJUDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N7O/c1-22-15(6-9-19-22)16-3-2-10-23(16)17(25)21-13-11-20-24(12-13)14-4-7-18-8-5-14/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164635700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).