N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C25H24N4O3 — CID 33125978

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OCc1ccncc1
InChIInChI=1S/C25H24N4O3/c1-17-24(18(2)29(28-17)21-7-5-4-6-8-21)25(30)27-20-9-10-22(31-3)23(15-20)32-16-19-11-13-26-14-12-19/h4-15H,16H2,1-3H3,(H,27,30)
InChIKeyZQMDMXHTEBGDAH-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.72
Rot. Bonds7

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 33125978) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID33125978
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OCc1ccncc1
InChIInChI=1S/C25H24N4O3/c1-17-24(18(2)29(28-17)21-7-5-4-6-8-21)25(30)27-20-9-10-22(31-3)23(15-20)32-16-19-11-13-26-14-12-19/h4-15H,16H2,1-3H3,(H,27,30)
InChIKeyZQMDMXHTEBGDAH-UHFFFAOYSA-N
XLogP4.72
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 38628597
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 33126560
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55858680
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 33125978) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZQMDMXHTEBGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-24(18(2)29(28-17)21-7-5-4-6-8-21)25(30)27-20-9-10-22(31-3)23(15-20)32-16-19-11-13-26-14-12-19/h4-15H,16H2,1-3H3,(H,27,30).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 33125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).