(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C18H20N6O — CID 51657479

IUPAC(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ncc[nH]1
InChIInChI=1S/C18H20N6O/c25-18(16-6-2-10-23(16)13-17-19-8-9-20-17)22-14-4-1-5-15(12-14)24-11-3-7-21-24/h1,3-5,7-9,11-12,16H,2,6,10,13H2,(H,19,20)(H,22,25)/t16-/m1/s1
InChIKeyHKKVEXVVLBIPQS-MRXNPFEDSA-N
MW336.40 g/mol
LogP2.20
Rot. Bonds5

About (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 51657479) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID51657479
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ncc[nH]1
InChIInChI=1S/C18H20N6O/c25-18(16-6-2-10-23(16)13-17-19-8-9-20-17)22-14-4-1-5-15(12-14)24-11-3-7-21-24/h1,3-5,7-9,11-12,16H,2,6,10,13H2,(H,19,20)(H,22,25)/t16-/m1/s1
InChIKeyHKKVEXVVLBIPQS-MRXNPFEDSA-N
XLogP2.20
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45178841
(2S)-1-[(5-methoxy-4-oxopyran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72838971
(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-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidine-2-carboxamide
CID 24819180

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 51657479) is (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ncc[nH]1.
What is the InChIKey of (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HKKVEXVVLBIPQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(16-6-2-10-23(16)13-17-19-8-9-20-17)22-14-4-1-5-15(12-14)24-11-3-7-21-24/h1,3-5,7-9,11-12,16H,2,6,10,13H2,(H,19,20)(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51657479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).