1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

C8H11F3N4O — CID 47252490

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1[nH]ncc1CNC(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-5-6(3-14-15-5)2-12-7(16)13-4-8(9,10)11/h3H,2,4H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyAHJQLCNLQVSJPT-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.08
Rot. Bonds3

About 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47252490) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47252490
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1[nH]ncc1CNC(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-5-6(3-14-15-5)2-12-7(16)13-4-8(9,10)11/h3H,2,4H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyAHJQLCNLQVSJPT-UHFFFAOYSA-N
XLogP1.08
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea 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 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 47252490) is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is Cc1[nH]ncc1CNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is AHJQLCNLQVSJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-5-6(3-14-15-5)2-12-7(16)13-4-8(9,10)11/h3H,2,4H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 236.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47252490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).