N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide

C16H20FN3O — CID 112805733

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c1-4-5-11(2)16(21)18-15-10-12(3)19-20(15)14-8-6-13(17)7-9-14/h6-11H,4-5H2,1-3H3,(H,18,21)
InChIKeyTUSBPPCJEWMDEW-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide (PubChem CID 112805733) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide
PubChem CID112805733
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c1-4-5-11(2)16(21)18-15-10-12(3)19-20(15)14-8-6-13(17)7-9-14/h6-11H,4-5H2,1-3H3,(H,18,21)
InChIKeyTUSBPPCJEWMDEW-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
2-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]pentanamide
CID 119266330
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112823646
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
ethyl 1-(4-fluorophenyl)-5-[3-[[(2S)-2-methylpentanoyl]amino]phenyl]pyrazole-3-carboxylate
CID 92769830
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride
CID 119680110
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8688317
3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112845051
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide (CID 112805733) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide?
The InChIKey is TUSBPPCJEWMDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-5-11(2)16(21)18-15-10-12(3)19-20(15)14-8-6-13(17)7-9-14/h6-11H,4-5H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide has a molecular weight of 289.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide is sourced from PubChem (CID 112805733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).