N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide

C8H11F3N4O — CID 79524021

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCn1ncc(CNC(=O)CC(F)(F)F)c1N
InChIInChI=1S/C8H11F3N4O/c1-15-7(12)5(4-14-15)3-13-6(16)2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyIGHYBDOLCFHPMW-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.57
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 79524021) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID79524021
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCn1ncc(CNC(=O)CC(F)(F)F)c1N
InChIInChI=1S/C8H11F3N4O/c1-15-7(12)5(4-14-15)3-13-6(16)2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyIGHYBDOLCFHPMW-UHFFFAOYSA-N
XLogP0.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide (CID 79524021) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide is Cn1ncc(CNC(=O)CC(F)(F)F)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is IGHYBDOLCFHPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-15-7(12)5(4-14-15)3-13-6(16)2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 236.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 79524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).