N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

C26H26N4O4 — CID 17392908

IUPACN-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(OC)c1OC
InChIInChI=1S/C26H26N4O4/c1-29(16-19-12-13-22(32-2)25(34-4)24(19)33-3)26(31)21-17-30(20-10-6-5-7-11-20)28-23(21)18-9-8-14-27-15-18/h5-15,17H,16H2,1-4H3
InChIKeyXCPSQAYVZKQJAL-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.23
Rot. Bonds8

About N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 17392908) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID17392908
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(OC)c1OC
InChIInChI=1S/C26H26N4O4/c1-29(16-19-12-13-22(32-2)25(34-4)24(19)33-3)26(31)21-17-30(20-10-6-5-7-11-20)28-23(21)18-9-8-14-27-15-18/h5-15,17H,16H2,1-4H3
InChIKeyXCPSQAYVZKQJAL-UHFFFAOYSA-N
XLogP4.23
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 43017542
N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 7535671
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 22110546
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 17392908) is N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(OC)c1OC.
What is the InChIKey of N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is XCPSQAYVZKQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-29(16-19-12-13-22(32-2)25(34-4)24(19)33-3)26(31)21-17-30(20-10-6-5-7-11-20)28-23(21)18-9-8-14-27-15-18/h5-15,17H,16H2,1-4H3.
What are the key properties of N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 17392908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).