N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide

C5H4F3N3O — CID 141335327

IUPACN-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
SMILESO=CN(c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)11(3-12)4-1-9-10-2-4/h1-3H,(H,9,10)
InChIKeyPUVVJZUZXOUWKW-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.89
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide

N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide (PubChem CID 141335327) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
PubChem CID141335327
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC NameN-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
SMILESO=CN(c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)11(3-12)4-1-9-10-2-4/h1-3H,(H,9,10)
InChIKeyPUVVJZUZXOUWKW-UHFFFAOYSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Dimethyl-1H-pyrazol-4-amine
CID 13450484
4-Isocyanatopyrazole
CID 17856087
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141335326
N-(difluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141360431
N-(trifluoromethyl)-1H-pyrazol-4-amine
CID 153675330
N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 175573093
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
2,2,2-trifluoroethyl N-(1H-pyrazol-4-yl)carbamate
CID 43540333
N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924535

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide (CID 141335327) is N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide is O=CN(c1cn[nH]c1)C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide?
The InChIKey is PUVVJZUZXOUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)11(3-12)4-1-9-10-2-4/h1-3H,(H,9,10).
What are the key properties of N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide?
N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide has a molecular weight of 179.10 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide is sourced from PubChem (CID 141335327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).