N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C20H21N5O2 — CID 120946153

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CNCC1O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C20H21N5O2/c26-18-12-22-10-15(18)11-23-20(27)17-13-25(16-6-2-1-3-7-16)24-19(17)14-5-4-8-21-9-14/h1-9,13,15,18,22,26H,10-12H2,(H,23,27)
InChIKeyGDKCVYORKKYDQZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.24
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 120946153) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID120946153
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CNCC1O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C20H21N5O2/c26-18-12-22-10-15(18)11-23-20(27)17-13-25(16-6-2-1-3-7-16)24-19(17)14-5-4-8-21-9-14/h1-9,13,15,18,22,26H,10-12H2,(H,23,27)
InChIKeyGDKCVYORKKYDQZ-UHFFFAOYSA-N
XLogP1.24
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55933026

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 120946153) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCC1CNCC1O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is GDKCVYORKKYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18-12-22-10-15(18)11-23-20(27)17-13-25(16-6-2-1-3-7-16)24-19(17)14-5-4-8-21-9-14/h1-9,13,15,18,22,26H,10-12H2,(H,23,27).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 120946153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).