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

C15H18FN3O — CID 45153613

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-4-10(2)15(20)17-14-9-11(3)18-19(14)13-7-5-12(16)6-8-13/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyYNMWYSJICJGJFA-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.30
Rot. Bonds4

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

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide (PubChem CID 45153613) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
PubChem CID45153613
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-4-10(2)15(20)17-14-9-11(3)18-19(14)13-7-5-12(16)6-8-13/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyYNMWYSJICJGJFA-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide
CID 112805733
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
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
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 44907684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide (CID 45153613) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide?
The InChIKey is YNMWYSJICJGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-10(2)15(20)17-14-9-11(3)18-19(14)13-7-5-12(16)6-8-13/h5-10H,4H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide has a molecular weight of 275.33 g/mol, XLogP of 3.30, 4 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-methylbutanamide is sourced from PubChem (CID 45153613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).