N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C25H20N4O3 — CID 134155858

IUPACN-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1/C=C/C(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C25H20N4O3/c1-32-24-8-3-2-5-18(24)9-10-23(30)19-6-4-7-20(15-19)27-25(31)22-16-21(28-29-22)17-11-13-26-14-12-17/h2-16H,1H3,(H,27,31)(H,28,29)/b10-9+
InChIKeyYSCNYIWOXVTVKN-MDZDMXLPSA-N
MW424.46 g/mol
LogP4.63
Rot. Bonds7

About N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 134155858) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID134155858
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1/C=C/C(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C25H20N4O3/c1-32-24-8-3-2-5-18(24)9-10-23(30)19-6-4-7-20(15-19)27-25(31)22-16-21(28-29-22)17-11-13-26-14-12-17/h2-16H,1H3,(H,27,31)(H,28,29)/b10-9+
InChIKeyYSCNYIWOXVTVKN-MDZDMXLPSA-N
XLogP4.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
1-[3-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11188838
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 35745930
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
N-[3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 7947701
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
3-(4-fluorophenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6869495
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
2-[[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
CID 9321006

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 134155858) is N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is COc1ccccc1/C=C/C(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is YSCNYIWOXVTVKN-MDZDMXLPSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-32-24-8-3-2-5-18(24)9-10-23(30)19-6-4-7-20(15-19)27-25(31)22-16-21(28-29-22)17-11-13-26-14-12-17/h2-16H,1H3,(H,27,31)(H,28,29)/b10-9+.
What are the key properties of N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134155858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).