(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

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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).