4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C23H31ClN4O — CID 110245188

IUPAC4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NC2CCN(CC(c3ccccc3)C3CCCC3)CC2)n1
InChIInChI=1S/C23H31ClN4O/c1-27-16-21(24)22(26-27)23(29)25-19-11-13-28(14-12-19)15-20(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,16,18-20H,5-6,9-15H2,1H3,(H,25,29)
InChIKeyMNDQXWRMCNTBBW-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.24
Rot. Bonds6

About 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 110245188) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID110245188
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC Name4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NC2CCN(CC(c3ccccc3)C3CCCC3)CC2)n1
InChIInChI=1S/C23H31ClN4O/c1-27-16-21(24)22(26-27)23(29)25-19-11-13-28(14-12-19)15-20(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,16,18-20H,5-6,9-15H2,1H3,(H,25,29)
InChIKeyMNDQXWRMCNTBBW-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 110223508
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
CID 118776458
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 30768138
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 110245188) is 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)NC2CCN(CC(c3ccccc3)C3CCCC3)CC2)n1.
What is the InChIKey of 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MNDQXWRMCNTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O/c1-27-16-21(24)22(26-27)23(29)25-19-11-13-28(14-12-19)15-20(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,16,18-20H,5-6,9-15H2,1H3,(H,25,29).
What are the key properties of 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 414.98 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).