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

C10H15F3N4O — CID 47247768

IUPAC1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1[nH]ncc1CCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-7-8(5-16-17-7)3-2-4-14-9(18)15-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQDWOZIPNTGUZSA-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.51
Rot. Bonds5

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

1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47247768) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47247768
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1[nH]ncc1CCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-7-8(5-16-17-7)3-2-4-14-9(18)15-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQDWOZIPNTGUZSA-UHFFFAOYSA-N
XLogP1.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-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-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea (CID 47247768) is 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea is Cc1[nH]ncc1CCCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QDWOZIPNTGUZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-7-8(5-16-17-7)3-2-4-14-9(18)15-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 264.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47247768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).