3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

C22H22N4O2 — CID 6869519

IUPAC3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1
InChIInChI=1S/C22H22N4O2/c1-3-16-10-12-17(13-11-16)19-15-20(25-24-19)22(27)26-23-14-6-8-18-7-4-5-9-21(18)28-2/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)/b8-6+,23-14+
InChIKeyZTZMSHSZOIRDFZ-QLBRXNFHSA-N
MW374.44 g/mol
LogP4.08
Rot. Bonds7

About 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (PubChem CID 6869519) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
PubChem CID6869519
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1
InChIInChI=1S/C22H22N4O2/c1-3-16-10-12-17(13-11-16)19-15-20(25-24-19)22(27)26-23-14-6-8-18-7-4-5-9-21(18)28-2/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)/b8-6+,23-14+
InChIKeyZTZMSHSZOIRDFZ-QLBRXNFHSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
5-(5-methylfuran-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6146666
N'-[(E)-(3-methoxyphenyl)methylidene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862143
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
3-[2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-1H-pyrazole-5-carboxamide
CID 11393872

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (CID 6869519) is 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is ZTZMSHSZOIRDFZ-QLBRXNFHSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-16-10-12-17(13-11-16)19-15-20(25-24-19)22(27)26-23-14-6-8-18-7-4-5-9-21(18)28-2/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)/b8-6+,23-14+.
What are the key properties of 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6869519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).