5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C23H25ClN4O2 — CID 55951354

IUPAC5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-5-3-2-4-17(21)15-28-12-10-19(11-13-28)26-23(29)20-14-25-27-22(20)16-6-8-18(24)9-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,25,27)(H,26,29)
InChIKeyKQIXOSOACHNEHA-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.13
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 55951354) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID55951354
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-5-3-2-4-17(21)15-28-12-10-19(11-13-28)26-23(29)20-14-25-27-22(20)16-6-8-18(24)9-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,25,27)(H,26,29)
InChIKeyKQIXOSOACHNEHA-UHFFFAOYSA-N
XLogP4.13
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55951612
3,4,5-trimethoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 55951861
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 55951354) is 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is COc1ccccc1CN1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KQIXOSOACHNEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-30-21-5-3-2-4-17(21)15-28-12-10-19(11-13-28)26-23(29)20-14-25-27-22(20)16-6-8-18(24)9-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55951354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).