1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea

C13H22N4O — CID 47200421

IUPAC1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-17-10-12(9-14-17)16-13(18)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H2,15,16,18)
InChIKeyFQBOWRXDFPOUFQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.75
Rot. Bonds3

About 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea

1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 47200421) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
PubChem CID47200421
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-17-10-12(9-14-17)16-13(18)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H2,15,16,18)
InChIKeyFQBOWRXDFPOUFQ-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
CID 19449764
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
CID 35592061
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 84585882
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea (CID 47200421) is 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)NC2CCCCCC2)cn1.
What is the InChIKey of 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is FQBOWRXDFPOUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-10-12(9-14-17)16-13(18)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea?
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 250.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 47200421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).