N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C24H20N4O2 — CID 4213506

IUPACN-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C=CC=NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C24H20N4O2/c1-30-23-14-5-3-9-18(23)11-7-15-25-28-24(29)22-16-21(26-27-22)20-13-6-10-17-8-2-4-12-19(17)20/h2-16H,1H3,(H,26,27)(H,28,29)
InChIKeyKSGTZFBNEGAFHO-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.67
Rot. Bonds6

About N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 4213506) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID4213506
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C=CC=NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C24H20N4O2/c1-30-23-14-5-3-9-18(23)11-7-15-25-28-24(29)22-16-21(26-27-22)20-13-6-10-17-8-2-4-12-19(17)20/h2-16H,1H3,(H,26,27)(H,28,29)
InChIKeyKSGTZFBNEGAFHO-UHFFFAOYSA-N
XLogP4.67
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.67
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-(1,2-dihydroacenaphthylen-5-yl)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-1H-pyrazole-5-carboxamide
CID 5098672
3-(4-fluorophenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6869495
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
methyl 4-[(E)-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
CID 6872304
N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 1390076
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 135437789
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
3-(4-methoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6861965
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128473

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 4213506) is N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is COc1ccccc1C=CC=NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is KSGTZFBNEGAFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-23-14-5-3-9-18(23)11-7-15-25-28-24(29)22-16-21(26-27-22)20-13-6-10-17-8-2-4-12-19(17)20/h2-16H,1H3,(H,26,27)(H,28,29).
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4213506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).