3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide

C22H24FN5O — CID 121126886

IUPAC3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H24FN5O/c1-27-20(14-19(26-27)17-5-7-18(23)8-6-17)22(29)25-15-16-9-12-28(13-10-16)21-4-2-3-11-24-21/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,25,29)
InChIKeyDIVUIKRGABCCDW-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.27
Rot. Bonds5

About 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 121126886) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID121126886
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H24FN5O/c1-27-20(14-19(26-27)17-5-7-18(23)8-6-17)22(29)25-15-16-9-12-28(13-10-16)21-4-2-3-11-24-21/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,25,29)
InChIKeyDIVUIKRGABCCDW-UHFFFAOYSA-N
XLogP3.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
CID 138055578
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349110
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 90619862
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122318478
1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 131927320
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
N-[3-(3-chlorophenyl)prop-2-ynyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90548545
2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181032

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide (CID 121126886) is 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is DIVUIKRGABCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-27-20(14-19(26-27)17-5-7-18(23)8-6-17)22(29)25-15-16-9-12-28(13-10-16)21-4-2-3-11-24-21/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121126886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).