3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide

C16H16FN5O — CID 46968307

IUPAC3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccnc1
InChIInChI=1S/C16H16FN5O/c1-21-15(16(23)19-7-9-22-8-6-18-11-22)10-14(20-21)12-2-4-13(17)5-3-12/h2-6,8,10-11H,7,9H2,1H3,(H,19,23)
InChIKeyNYYOPHRGDBDQSY-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.85
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 46968307) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide
PubChem CID46968307
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccnc1
InChIInChI=1S/C16H16FN5O/c1-21-15(16(23)19-7-9-22-8-6-18-11-22)10-14(20-21)12-2-4-13(17)5-3-12/h2-6,8,10-11H,7,9H2,1H3,(H,19,23)
InChIKeyNYYOPHRGDBDQSY-UHFFFAOYSA-N
XLogP1.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
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CID 18549509
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidazo[4,5-c]pyridin-1-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646190
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidazo[4,5-c]pyridin-3-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646191
Takeda103A
CID 11155477
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
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CID 57504987

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide (CID 46968307) is 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccnc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NYYOPHRGDBDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-21-15(16(23)19-7-9-22-8-6-18-11-22)10-14(20-21)12-2-4-13(17)5-3-12/h2-6,8,10-11H,7,9H2,1H3,(H,19,23).
What are the key properties of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-imidazol-1-ylethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46968307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).