2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid

C8H10F3N3O2 — CID 68765144

IUPAC2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid
SMILESCn1cc(C(F)(F)F)c(CCNC(=O)O)n1
InChIInChI=1S/C8H10F3N3O2/c1-14-4-5(8(9,10)11)6(13-14)2-3-12-7(15)16/h4,12H,2-3H2,1H3,(H,15,16)
InChIKeySUAXFZRFDZZYEX-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.25
Rot. Bonds3

About 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid

2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid (PubChem CID 68765144) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid
PubChem CID68765144
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid
SMILESCn1cc(C(F)(F)F)c(CCNC(=O)O)n1
InChIInChI=1S/C8H10F3N3O2/c1-14-4-5(8(9,10)11)6(13-14)2-3-12-7(15)16/h4,12H,2-3H2,1H3,(H,15,16)
InChIKeySUAXFZRFDZZYEX-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid 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 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid (CID 68765144) is 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid is Cn1cc(C(F)(F)F)c(CCNC(=O)O)n1.
What is the InChIKey of 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid?
The InChIKey is SUAXFZRFDZZYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-14-4-5(8(9,10)11)6(13-14)2-3-12-7(15)16/h4,12H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid?
2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid has a molecular weight of 237.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethylcarbamic acid is sourced from PubChem (CID 68765144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).