(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide

C20H22N6O2 — CID 26390979

IUPAC(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)CCc1cn[nH]c1
InChIInChI=1S/C20H22N6O2/c27-19(8-7-15-13-21-22-14-15)25-10-2-6-18(25)20(28)24-16-4-1-5-17(12-16)26-11-3-9-23-26/h1,3-5,9,11-14,18H,2,6-8,10H2,(H,21,22)(H,24,28)/t18-/m1/s1
InChIKeyUGLDCLZEELUSDX-GOSISDBHSA-N
MW378.44 g/mol
LogP2.16
Rot. Bonds6

About (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide

(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 26390979) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID26390979
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)CCc1cn[nH]c1
InChIInChI=1S/C20H22N6O2/c27-19(8-7-15-13-21-22-14-15)25-10-2-6-18(25)20(28)24-16-4-1-5-17(12-16)26-11-3-9-23-26/h1,3-5,9,11-14,18H,2,6-8,10H2,(H,21,22)(H,24,28)/t18-/m1/s1
InChIKeyUGLDCLZEELUSDX-GOSISDBHSA-N
XLogP2.16
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
(2R)-1-N-prop-2-enyl-2-N-(3-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 42595070
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72935452
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
(2S)-1-[(5-methoxy-4-oxopyran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72838971

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide (CID 26390979) is (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)CCc1cn[nH]c1.
What is the InChIKey of (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UGLDCLZEELUSDX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19(8-7-15-13-21-22-14-15)25-10-2-6-18(25)20(28)24-16-4-1-5-17(12-16)26-11-3-9-23-26/h1,3-5,9,11-14,18H,2,6-8,10H2,(H,21,22)(H,24,28)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 26390979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).