3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide

C18H20FN5O — CID 139018058

IUPAC3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide
SMILESCC(CC(=O)Nc1cn(C)nc1-c1ccnn1C)c1ccc(F)cc1
InChIInChI=1S/C18H20FN5O/c1-12(13-4-6-14(19)7-5-13)10-17(25)21-15-11-23(2)22-18(15)16-8-9-20-24(16)3/h4-9,11-12H,10H2,1-3H3,(H,21,25)
InChIKeyYSGXNHOABZFLSN-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.09
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide

3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide (PubChem CID 139018058) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide
PubChem CID139018058
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide
SMILESCC(CC(=O)Nc1cn(C)nc1-c1ccnn1C)c1ccc(F)cc1
InChIInChI=1S/C18H20FN5O/c1-12(13-4-6-14(19)7-5-13)10-17(25)21-15-11-23(2)22-18(15)16-8-9-20-24(16)3/h4-9,11-12H,10H2,1-3H3,(H,21,25)
InChIKeyYSGXNHOABZFLSN-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenyl)butanamide
CID 56535885
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
CID 94802137
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 121023422
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 95324241

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide (CID 139018058) is 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide is CC(CC(=O)Nc1cn(C)nc1-c1ccnn1C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide?
The InChIKey is YSGXNHOABZFLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12(13-4-6-14(19)7-5-13)10-17(25)21-15-11-23(2)22-18(15)16-8-9-20-24(16)3/h4-9,11-12H,10H2,1-3H3,(H,21,25).
What are the key properties of 3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide?
3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide has a molecular weight of 341.39 g/mol, XLogP of 3.09, 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-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 139018058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).