N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide

C16H17F3N4O2 — CID 87024241

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2cnn(C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O2/c1-10(24)21-12-4-5-14(13(7-12)16(17,18)19)22-15(25)6-3-11-8-20-23(2)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySMRXYONVNSXZNA-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.97
Rot. Bonds5

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 87024241) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID87024241
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2cnn(C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O2/c1-10(24)21-12-4-5-14(13(7-12)16(17,18)19)22-15(25)6-3-11-8-20-23(2)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySMRXYONVNSXZNA-UHFFFAOYSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46687839
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71854296
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023677

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 87024241) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCc2cnn(C)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is SMRXYONVNSXZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10(24)21-12-4-5-14(13(7-12)16(17,18)19)22-15(25)6-3-11-8-20-23(2)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 354.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 87024241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).