N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide

C17H22N4O — CID 71935564

IUPACN-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1cn(C)nc1-c1cccnc1
InChIInChI=1S/C17H22N4O/c1-20(11-13-6-3-4-7-13)17(22)15-12-21(2)19-16(15)14-8-5-9-18-10-14/h5,8-10,12-13H,3-4,6-7,11H2,1-2H3
InChIKeyXMFZRQCNONCTLF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.74
Rot. Bonds4

About N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 71935564) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID71935564
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1cn(C)nc1-c1cccnc1
InChIInChI=1S/C17H22N4O/c1-20(11-13-6-3-4-7-13)17(22)15-12-21(2)19-16(15)14-8-5-9-18-10-14/h5,8-10,12-13H,3-4,6-7,11H2,1-2H3
InChIKeyXMFZRQCNONCTLF-UHFFFAOYSA-N
XLogP2.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ibudilast
CID 3671
1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
CID 645025
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 71935564) is N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide is CN(CC1CCCC1)C(=O)c1cn(C)nc1-c1cccnc1.
What is the InChIKey of N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is XMFZRQCNONCTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(11-13-6-3-4-7-13)17(22)15-12-21(2)19-16(15)14-8-5-9-18-10-14/h5,8-10,12-13H,3-4,6-7,11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 71935564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).