N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide

C15H14FN5O — CID 100824981

IUPACN-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCCn1ccc(NC(=O)c2cn(-c3ccc(F)cc3)cn2)n1
InChIInChI=1S/C15H14FN5O/c1-2-21-8-7-14(19-21)18-15(22)13-9-20(10-17-13)12-5-3-11(16)4-6-12/h3-10H,2H2,1H3,(H,18,19,22)
InChIKeyNMWLORVJKMEDDA-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.48
Rot. Bonds4

About N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide

N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 100824981) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID100824981
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCCn1ccc(NC(=O)c2cn(-c3ccc(F)cc3)cn2)n1
InChIInChI=1S/C15H14FN5O/c1-2-21-8-7-14(19-21)18-15(22)13-9-20(10-17-13)12-5-3-11(16)4-6-12/h3-10H,2H2,1H3,(H,18,19,22)
InChIKeyNMWLORVJKMEDDA-UHFFFAOYSA-N
XLogP2.48
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
CID 100816395
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238
(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
CID 100816398
2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 138989638
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
1-(1-ethylpyrazol-3-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17282048
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide (CID 100824981) is N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide is CCn1ccc(NC(=O)c2cn(-c3ccc(F)cc3)cn2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is NMWLORVJKMEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-2-21-8-7-14(19-21)18-15(22)13-9-20(10-17-13)12-5-3-11(16)4-6-12/h3-10H,2H2,1H3,(H,18,19,22).
What are the key properties of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide?
N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 100824981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).