N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C21H15FN4O — CID 1390076

IUPACN-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C21H15FN4O/c22-16-10-8-14(9-11-16)13-23-26-21(27)20-12-19(24-25-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-13H,(H,24,25)(H,26,27)
InChIKeyKLZHPLZPJAERNI-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.13
Rot. Bonds4

About N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 1390076) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID1390076
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C21H15FN4O/c22-16-10-8-14(9-11-16)13-23-26-21(27)20-12-19(24-25-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-13H,(H,24,25)(H,26,27)
InChIKeyKLZHPLZPJAERNI-UHFFFAOYSA-N
XLogP4.13
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 4-[(E)-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
CID 6872304
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 135437789
3-(2-chlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136851853
N-[(Z)-benzylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6023521
N-(anthracen-9-ylmethylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2041756
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 1390076) is N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is O=C(NN=Cc1ccc(F)cc1)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is KLZHPLZPJAERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-16-10-8-14(9-11-16)13-23-26-21(27)20-12-19(24-25-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-13H,(H,24,25)(H,26,27).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1390076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).