3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C22H24N4O2 — CID 6033180

IUPAC3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)N/N=C\c3ccc(C(C)C)cc3)[nH]n2)c1
InChIInChI=1S/C22H24N4O2/c1-4-28-19-7-5-6-18(12-19)20-13-21(25-24-20)22(27)26-23-14-16-8-10-17(11-9-16)15(2)3/h5-15H,4H2,1-3H3,(H,24,25)(H,26,27)/b23-14-
InChIKeyUXRWAZJDQXAGCL-UCQKPKSFSA-N
MW376.46 g/mol
LogP4.36
Rot. Bonds7

About 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6033180) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6033180
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)N/N=C\c3ccc(C(C)C)cc3)[nH]n2)c1
InChIInChI=1S/C22H24N4O2/c1-4-28-19-7-5-6-18(12-19)20-13-21(25-24-20)22(27)26-23-14-16-8-10-17(11-9-16)15(2)3/h5-15H,4H2,1-3H3,(H,24,25)(H,26,27)/b23-14-
InChIKeyUXRWAZJDQXAGCL-UCQKPKSFSA-N
XLogP4.36
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.36
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

N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6889101
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
N-[(E)-(4-fluorophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6888739
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185226
N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 3684671
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5450220
N-[(E)-(4-butoxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6888957
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185211
3-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128475
methyl 4-[(Z)-[[3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 6005267
methyl 4-[(E)-[[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 5342768

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6033180) is 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is CCOc1cccc(-c2cc(C(=O)N/N=C\c3ccc(C(C)C)cc3)[nH]n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UXRWAZJDQXAGCL-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-28-19-7-5-6-18(12-19)20-13-21(25-24-20)22(27)26-23-14-16-8-10-17(11-9-16)15(2)3/h5-15H,4H2,1-3H3,(H,24,25)(H,26,27)/b23-14-.
What are the key properties of 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6033180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).