3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide

C24H31FN4O2 — CID 92636806

IUPAC3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)CC3CCCC3)CC2)n1
InChIInChI=1S/C24H31FN4O2/c1-28-16-21(24(31)26-20-8-6-19(25)7-9-20)22(27-28)14-18-10-12-29(13-11-18)23(30)15-17-4-2-3-5-17/h6-9,16-18H,2-5,10-15H2,1H3,(H,26,31)
InChIKeyXTHAGOPDGXPQPV-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.17
Rot. Bonds6

About 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide

3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 92636806) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID92636806
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)CC3CCCC3)CC2)n1
InChIInChI=1S/C24H31FN4O2/c1-28-16-21(24(31)26-20-8-6-19(25)7-9-20)22(27-28)14-18-10-12-29(13-11-18)23(30)15-17-4-2-3-5-17/h6-9,16-18H,2-5,10-15H2,1H3,(H,26,31)
InChIKeyXTHAGOPDGXPQPV-UHFFFAOYSA-N
XLogP4.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92637470
N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637846
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638024
3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92638029
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637458
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637592
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 92636806) is 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)CC3CCCC3)CC2)n1.
What is the InChIKey of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is XTHAGOPDGXPQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-28-16-21(24(31)26-20-8-6-19(25)7-9-20)22(27-28)14-18-10-12-29(13-11-18)23(30)15-17-4-2-3-5-17/h6-9,16-18H,2-5,10-15H2,1H3,(H,26,31).
What are the key properties of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 92636806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).