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

C20H21N5O — CID 42292661

IUPAC(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1cccnc1
InChIInChI=1S/C20H21N5O/c26-20(19-8-3-11-24(19)15-16-5-2-9-21-14-16)23-17-6-1-7-18(13-17)25-12-4-10-22-25/h1-2,4-7,9-10,12-14,19H,3,8,11,15H2,(H,23,26)/t19-/m1/s1
InChIKeyAKWFUXBZJPDAGM-LJQANCHMSA-N
MW347.42 g/mol
LogP2.87
Rot. Bonds5

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

(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 42292661) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID42292661
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1cccnc1
InChIInChI=1S/C20H21N5O/c26-20(19-8-3-11-24(19)15-16-5-2-9-21-14-16)23-17-6-1-7-18(13-17)25-12-4-10-22-25/h1-2,4-7,9-10,12-14,19H,3,8,11,15H2,(H,23,26)/t19-/m1/s1
InChIKeyAKWFUXBZJPDAGM-LJQANCHMSA-N
XLogP2.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
(2S)-1-[(5-methoxy-4-oxopyran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72838971
1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide
CID 139001876
(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42518874
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45246019
(2R)-1-N-prop-2-enyl-2-N-(3-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 42595070
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 42292661) is (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1cccnc1.
What is the InChIKey of (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is AKWFUXBZJPDAGM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(19-8-3-11-24(19)15-16-5-2-9-21-14-16)23-17-6-1-7-18(13-17)25-12-4-10-22-25/h1-2,4-7,9-10,12-14,19H,3,8,11,15H2,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).