3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

C21H22N4O3 — CID 99954668

IUPAC3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C21H22N4O3/c26-20-13-19(23-25(20)17-5-2-1-3-6-17)21(27)24(15-18-7-4-12-28-18)14-16-8-10-22-11-9-16/h1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2/t18-/m1/s1
InChIKeyUBDPWBQQYMCMTL-GOSISDBHSA-N
MW378.43 g/mol
LogP2.38
Rot. Bonds6

About 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 99954668) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID99954668
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C21H22N4O3/c26-20-13-19(23-25(20)17-5-2-1-3-6-17)21(27)24(15-18-7-4-12-28-18)14-16-8-10-22-11-9-16/h1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2/t18-/m1/s1
InChIKeyUBDPWBQQYMCMTL-GOSISDBHSA-N
XLogP2.38
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 91770989
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 90648755
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 99941251
N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77090970
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25285955
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126426959
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 99954668) is 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N(Cc1ccncc1)C[C@H]1CCCO1.
What is the InChIKey of 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UBDPWBQQYMCMTL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20-13-19(23-25(20)17-5-2-1-3-6-17)21(27)24(15-18-7-4-12-28-18)14-16-8-10-22-11-9-16/h1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2/t18-/m1/s1.
What are the key properties of 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99954668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).