N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide

C5H4F3N3O — CID 174870762

IUPACN-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide
SMILESO=CNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-1-10-11-4(3)9-2-12/h1-2H,(H2,9,10,11,12)
InChIKeyDLLJLUFUIBSEMN-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.00
Rot. Bonds2

About N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide

N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide (PubChem CID 174870762) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide
PubChem CID174870762
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC NameN-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide
SMILESO=CNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-1-10-11-4(3)9-2-12/h1-2H,(H2,9,10,11,12)
InChIKeyDLLJLUFUIBSEMN-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide?
The IUPAC name of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide (CID 174870762) is N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide is O=CNc1[nH]ncc1C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide?
The InChIKey is DLLJLUFUIBSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-10-11-4(3)9-2-12/h1-2H,(H2,9,10,11,12).
What are the key properties of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide?
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide has a molecular weight of 179.10 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide is sourced from PubChem (CID 174870762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).