(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C21H21N5O2 — CID 97190729

IUPAC(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C21H21N5O2/c27-19-10-17(14-26(19)13-15-6-8-22-9-7-15)21(28)23-11-18-12-24-25-20(18)16-4-2-1-3-5-16/h1-9,12,17H,10-11,13-14H2,(H,23,28)(H,24,25)/t17-/m1/s1
InChIKeyKSWPZZHXOIVAKW-QGZVFWFLSA-N
MW375.43 g/mol
LogP2.14
Rot. Bonds6

About (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97190729) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97190729
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C21H21N5O2/c27-19-10-17(14-26(19)13-15-6-8-22-9-7-15)21(28)23-11-18-12-24-25-20(18)16-4-2-1-3-5-16/h1-9,12,17H,10-11,13-14H2,(H,23,28)(H,24,25)/t17-/m1/s1
InChIKeyKSWPZZHXOIVAKW-QGZVFWFLSA-N
XLogP2.14
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-benzyl-5-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 78839031
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72936643
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732
N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925934
N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72851780
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72926887
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46109844
(3R)-1-benzyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 42032570
1-benzyl-N-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 143820682
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184135

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 97190729) is (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cn[nH]c1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KSWPZZHXOIVAKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-19-10-17(14-26(19)13-15-6-8-22-9-7-15)21(28)23-11-18-12-24-25-20(18)16-4-2-1-3-5-16/h1-9,12,17H,10-11,13-14H2,(H,23,28)(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97190729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).