3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide

C18H15ClF2N4O — CID 166581454

IUPAC3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide
SMILESCc1c(NC(=O)CCc2ccc(Cl)c(F)c2)n[nH]c1-c1ccncc1F
InChIInChI=1S/C18H15ClF2N4O/c1-10-17(12-6-7-22-9-15(12)21)24-25-18(10)23-16(26)5-3-11-2-4-13(19)14(20)8-11/h2,4,6-9H,3,5H2,1H3,(H2,23,24,25,26)
InChIKeyBKKKOEFJSUEKJK-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.28
Rot. Bonds5

About 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide

3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide (PubChem CID 166581454) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide
PubChem CID166581454
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide
SMILESCc1c(NC(=O)CCc2ccc(Cl)c(F)c2)n[nH]c1-c1ccncc1F
InChIInChI=1S/C18H15ClF2N4O/c1-10-17(12-6-7-22-9-15(12)21)24-25-18(10)23-16(26)5-3-11-2-4-13(19)14(20)8-11/h2,4,6-9H,3,5H2,1H3,(H2,23,24,25,26)
InChIKeyBKKKOEFJSUEKJK-UHFFFAOYSA-N
XLogP4.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305288
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CID 166581204
3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581224
3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide
CID 99633619
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 115610032
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115594806
3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
3-(4-chloro-3-fluorophenyl)-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
CID 129417209
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115692372
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide (CID 166581454) is 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide is Cc1c(NC(=O)CCc2ccc(Cl)c(F)c2)n[nH]c1-c1ccncc1F.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide?
The InChIKey is BKKKOEFJSUEKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c1-10-17(12-6-7-22-9-15(12)21)24-25-18(10)23-16(26)5-3-11-2-4-13(19)14(20)8-11/h2,4,6-9H,3,5H2,1H3,(H2,23,24,25,26).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide?
3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide has a molecular weight of 376.79 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-[5-(3-fluoro-4-pyridinyl)-4-methyl-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 166581454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).