3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C24H24N6O2 — CID 6154939

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1
InChIInChI=1S/C24H24N6O2/c1-4-32-22-13-9-8-10-18(22)15-25-28-24(31)21-14-20(26-27-21)23-16(2)29-30(17(23)3)19-11-6-5-7-12-19/h5-15H,4H2,1-3H3,(H,26,27)(H,28,31)/b25-15-
InChIKeyFYBPIDCETPUPJF-MYYYXRDXSA-N
MW428.50 g/mol
LogP4.04
Rot. Bonds7

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6154939) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6154939
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1
InChIInChI=1S/C24H24N6O2/c1-4-32-22-13-9-8-10-18(22)15-25-28-24(31)21-14-20(26-27-21)23-16(2)29-30(17(23)3)19-11-6-5-7-12-19/h5-15H,4H2,1-3H3,(H,26,27)(H,28,31)/b25-15-
InChIKeyFYBPIDCETPUPJF-MYYYXRDXSA-N
XLogP4.04
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(2,5-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 6888208
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 6147438
N-[(2-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128539
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 135644314
3-(4-chlorophenyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5457432
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693
2-[2-[(Z)-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5450271
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105907
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5450583
3-(2-chlorophenyl)-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136791878
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 940139

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6154939) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is CCOc1ccccc1/C=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is FYBPIDCETPUPJF-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-4-32-22-13-9-8-10-18(22)15-25-28-24(31)21-14-20(26-27-21)23-16(2)29-30(17(23)3)19-11-6-5-7-12-19/h5-15H,4H2,1-3H3,(H,26,27)(H,28,31)/b25-15-.
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6154939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).