N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide

C20H18FN3O — CID 55669630

IUPACN-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C20H18FN3O/c1-2-13-23(15-16-8-4-3-5-9-16)20(25)18-12-14-24(22-18)19-11-7-6-10-17(19)21/h2-12,14H,1,13,15H2
InChIKeyYZOUUJQHBNLSBX-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.84
Rot. Bonds6

About N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide

N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 55669630) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID55669630
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C20H18FN3O/c1-2-13-23(15-16-8-4-3-5-9-16)20(25)18-12-14-24(22-18)19-11-7-6-10-17(19)21/h2-12,14H,1,13,15H2
InChIKeyYZOUUJQHBNLSBX-UHFFFAOYSA-N
XLogP3.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide
CID 55651337
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 55651081
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
N-[(1-benzylpyrrol-2-yl)methyl]-2-fluoro-N-prop-2-enylbenzamide
CID 810272
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide
CID 122133066
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide (CID 55669630) is N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide is C=CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is YZOUUJQHBNLSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-2-13-23(15-16-8-4-3-5-9-16)20(25)18-12-14-24(22-18)19-11-7-6-10-17(19)21/h2-12,14H,1,13,15H2.
What are the key properties of N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide?
N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 55669630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).