1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea

C9H14N4O — CID 115617906

IUPAC1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NC2CCC2)cn1
InChIInChI=1S/C9H14N4O/c1-13-6-8(5-10-13)12-9(14)11-7-3-2-4-7/h5-7H,2-4H2,1H3,(H2,11,12,14)
InChIKeyJRXDFHKOLWGRIF-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.09
Rot. Bonds2

About 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea

1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea (PubChem CID 115617906) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
PubChem CID115617906
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NC2CCC2)cn1
InChIInChI=1S/C9H14N4O/c1-13-6-8(5-10-13)12-9(14)11-7-3-2-4-7/h5-7H,2-4H2,1H3,(H2,11,12,14)
InChIKeyJRXDFHKOLWGRIF-UHFFFAOYSA-N
XLogP1.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfanylcyclohexyl)-3-(1-methylpyrazol-4-yl)urea
CID 71978962
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate
CID 138014313
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea (CID 115617906) is 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)NC2CCC2)cn1.
What is the InChIKey of 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is JRXDFHKOLWGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-6-8(5-10-13)12-9(14)11-7-3-2-4-7/h5-7H,2-4H2,1H3,(H2,11,12,14).
What are the key properties of 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea?
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 194.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 115617906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).