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

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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).