4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide

C24H28N4O2 — CID 24551581

IUPAC4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C24H28N4O2/c1-26(17-19-11-7-8-14-21(19)27-15-9-4-10-16-27)24(29)23-22(30-2)18-28(25-23)20-12-5-3-6-13-20/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3
InChIKeySVHIDDVJLZQFEG-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.14
Rot. Bonds6

About 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide

4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 24551581) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID24551581
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C24H28N4O2/c1-26(17-19-11-7-8-14-21(19)27-15-9-4-10-16-27)24(29)23-22(30-2)18-28(25-23)20-12-5-3-6-13-20/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3
InChIKeySVHIDDVJLZQFEG-UHFFFAOYSA-N
XLogP4.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 31796540
4-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 24595323
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31645422
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone
CID 25333493
(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 134020644

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide (CID 24551581) is 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1N1CCCCC1.
What is the InChIKey of 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is SVHIDDVJLZQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-26(17-19-11-7-8-14-21(19)27-15-9-4-10-16-27)24(29)23-22(30-2)18-28(25-23)20-12-5-3-6-13-20/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 24551581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).