N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide

C15H17F2N3O — CID 166304475

IUPACN-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)Nc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C15H17F2N3O/c1-15(16,17)11-3-5-12(6-4-11)19-14(21)8-7-13-9-10-18-20(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyLGVILRWJYHHETL-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 166304475) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID166304475
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)Nc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C15H17F2N3O/c1-15(16,17)11-3-5-12(6-4-11)19-14(21)8-7-13-9-10-18-20(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyLGVILRWJYHHETL-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131900391
1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
CID 120528058
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
4-(2-methylpyrazol-3-yl)-1-(prop-2-enylamino)butan-2-one
CID 103023911
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166385837
2-(4-chlorophenyl)-2-[3-(2-methylpyrazol-3-yl)propanoylamino]butanoic acid
CID 120977695

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 166304475) is N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)Nc1ccc(C(C)(F)F)cc1.
What is the InChIKey of N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is LGVILRWJYHHETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-15(16,17)11-3-5-12(6-4-11)19-14(21)8-7-13-9-10-18-20(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 293.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 166304475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).