N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide

C9H13F2N3O — CID 126787594

IUPACN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C(C)C
InChIInChI=1S/C9H13F2N3O/c1-4(2)9(15)12-6-5(3)13-14-7(6)8(10)11/h4,8H,1-3H3,(H,12,15)(H,13,14)
InChIKeyIVPLLTBGESHOEW-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.25
Rot. Bonds3

About N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 126787594) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID126787594
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C(C)C
InChIInChI=1S/C9H13F2N3O/c1-4(2)9(15)12-6-5(3)13-14-7(6)8(10)11/h4,8H,1-3H3,(H,12,15)(H,13,14)
InChIKeyIVPLLTBGESHOEW-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide (CID 126787594) is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide is Cc1[nH]nc(C(F)F)c1NC(=O)C(C)C.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is IVPLLTBGESHOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-4(2)9(15)12-6-5(3)13-14-7(6)8(10)11/h4,8H,1-3H3,(H,12,15)(H,13,14).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 217.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 126787594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).