3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C25H24N4O2 — CID 6869977

IUPAC3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]n1
InChIInChI=1S/C25H24N4O2/c1-16(2)18-10-8-17(9-11-18)15-26-29-25(30)22-14-21(27-28-22)24-20-7-5-4-6-19(20)12-13-23(24)31-3/h4-16H,1-3H3,(H,27,28)(H,29,30)/b26-15+
InChIKeyWJIVUJPAZSNSMS-CVKSISIWSA-N
MW412.49 g/mol
LogP5.13
Rot. Bonds6

About 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6869977) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6869977
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]n1
InChIInChI=1S/C25H24N4O2/c1-16(2)18-10-8-17(9-11-18)15-26-29-25(30)22-14-21(27-28-22)24-20-7-5-4-6-19(20)12-13-23(24)31-3/h4-16H,1-3H3,(H,27,28)(H,29,30)/b26-15+
InChIKeyWJIVUJPAZSNSMS-CVKSISIWSA-N
XLogP5.13
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.13
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'}

Analyze 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[[3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 1184963
3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6900037
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 136861823
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 1184957
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351699
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 5450266
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
methyl 4-[(E)-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
CID 6872304
3-(3-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6033180
N-[(Z)-(4-ethylphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6256744

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6869977) is 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]n1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is WJIVUJPAZSNSMS-CVKSISIWSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16(2)18-10-8-17(9-11-18)15-26-29-25(30)22-14-21(27-28-22)24-20-7-5-4-6-19(20)12-13-23(24)31-3/h4-16H,1-3H3,(H,27,28)(H,29,30)/b26-15+.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6869977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).