1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

C13H22N4O — CID 104693380

IUPAC1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCn1nccc1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-17-12(8-10-15-17)7-9-14-13(18)16-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H2,14,16,18)
InChIKeyZPMNLWMFOCYNSA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.59
Rot. Bonds4

About 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 104693380) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID104693380
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCn1nccc1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-17-12(8-10-15-17)7-9-14-13(18)16-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H2,14,16,18)
InChIKeyZPMNLWMFOCYNSA-UHFFFAOYSA-N
XLogP1.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate
CID 72864824
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine;hydroiodide
CID 110051127
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747697
N-cyclopentyl-3-[[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]propanamide
CID 111956093

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 104693380) is 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is Cn1nccc1CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is ZPMNLWMFOCYNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(8-10-15-17)7-9-14-13(18)16-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H2,14,16,18).
What are the key properties of 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 250.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 104693380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).