1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea

C11H15F3N4O — CID 146129965

IUPAC1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
SMILESCn1cc(NC(=O)NCC2CCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-18-6-8(9(17-18)11(12,13)14)16-10(19)15-5-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,15,16,19)
InChIKeyIDGXAFCMCBFTSI-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.36
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea

1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea (PubChem CID 146129965) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
PubChem CID146129965
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
SMILESCn1cc(NC(=O)NCC2CCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-18-6-8(9(17-18)11(12,13)14)16-10(19)15-5-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,15,16,19)
InChIKeyIDGXAFCMCBFTSI-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea 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

1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
CID 154770335
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776417
N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 48861592
4-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 102806619
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025070
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136540150
N-[3-(cyclopropylmethoxy)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008797
1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
CID 108902883
4-(cyclobutylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61198174
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea (CID 146129965) is 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea is Cn1cc(NC(=O)NCC2CCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
The InChIKey is IDGXAFCMCBFTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-18-6-8(9(17-18)11(12,13)14)16-10(19)15-5-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,15,16,19).
What are the key properties of 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea has a molecular weight of 276.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 146129965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).