3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

C23H24N4O2 — CID 6869967

IUPAC3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)N/N=C/C(C)=C\c3ccccc3)c2C)cc1
InChIInChI=1S/C23H24N4O2/c1-4-29-20-12-10-19(11-13-20)21-17(3)22(26-25-21)23(28)27-24-15-16(2)14-18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,25,26)(H,27,28)/b16-14-,24-15+
InChIKeyRAMNIWWHFJIPDV-KCVZSUGGSA-N
MW388.47 g/mol
LogP4.60
Rot. Bonds7

About 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (PubChem CID 6869967) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
PubChem CID6869967
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)N/N=C/C(C)=C\c3ccccc3)c2C)cc1
InChIInChI=1S/C23H24N4O2/c1-4-29-20-12-10-19(11-13-20)21-17(3)22(26-25-21)23(28)27-24-15-16(2)14-18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,25,26)(H,27,28)/b16-14-,24-15+
InChIKeyRAMNIWWHFJIPDV-KCVZSUGGSA-N
XLogP4.60
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.60
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-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 950350
3-(4-ethoxyphenyl)-4-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6864672
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 6888557
3-(2-ethoxyphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6864976
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871114
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 90486461
3-(4-ethylphenyl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6383435
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 135704390
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6000038
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 135679597
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (CID 6869967) is 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/C(C)=C\c3ccccc3)c2C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is RAMNIWWHFJIPDV-KCVZSUGGSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-29-20-12-10-19(11-13-20)21-17(3)22(26-25-21)23(28)27-24-15-16(2)14-18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,25,26)(H,27,28)/b16-14-,24-15+.
What are the key properties of 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6869967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).