N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C30H32N4O2 — CID 3882518

IUPACN-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C30H32N4O2/c1-22-8-6-12-26(18-22)34-29(20-28(32-34)24-11-7-13-27(19-24)36-2)30(35)31-25-14-16-33(17-15-25)21-23-9-4-3-5-10-23/h3-13,18-20,25H,14-17,21H2,1-2H3,(H,31,35)
InChIKeyMEDGMBUZUBJOHH-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.25
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 3882518) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID3882518
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C30H32N4O2/c1-22-8-6-12-26(18-22)34-29(20-28(32-34)24-11-7-13-27(19-24)36-2)30(35)31-25-14-16-33(17-15-25)21-23-9-4-3-5-10-23/h3-13,18-20,25H,14-17,21H2,1-2H3,(H,31,35)
InChIKeyMEDGMBUZUBJOHH-UHFFFAOYSA-N
XLogP5.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7361497
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CID 42755463
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
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CID 134802039
N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10310621
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
N-cyclohexyl-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 4266674
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N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55958899
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 3882518) is N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n(-c3cccc(C)c3)n2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is MEDGMBUZUBJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-22-8-6-12-26(18-22)34-29(20-28(32-34)24-11-7-13-27(19-24)36-2)30(35)31-25-14-16-33(17-15-25)21-23-9-4-3-5-10-23/h3-13,18-20,25H,14-17,21H2,1-2H3,(H,31,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).