1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea

C16H26N4O2 — CID 111116972

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccnn1C1CCCCC1)NC1CCCCC1O
InChIInChI=1S/C16H26N4O2/c21-14-9-5-4-8-13(14)18-16(22)19-15-10-11-17-20(15)12-6-2-1-3-7-12/h10-14,21H,1-9H2,(H2,18,19,22)
InChIKeyTYGWHSBDADIYHF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.81
Rot. Bonds3

About 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea

1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 111116972) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
PubChem CID111116972
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccnn1C1CCCCC1)NC1CCCCC1O
InChIInChI=1S/C16H26N4O2/c21-14-9-5-4-8-13(14)18-16(22)19-15-10-11-17-20(15)12-6-2-1-3-7-12/h10-14,21H,1-9H2,(H2,18,19,22)
InChIKeyTYGWHSBDADIYHF-UHFFFAOYSA-N
XLogP2.81
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 99830772
1-(2-cyclopentylpyrazol-3-yl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 72878351
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424885
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
1-(2-cyclobutylpyrazol-3-yl)-3-(3,4-dihydro-1H-isochromen-4-yl)urea
CID 136564551
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237
N-(2-cyclohexylpyrazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
CID 46997255

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea (CID 111116972) is 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea is O=C(Nc1ccnn1C1CCCCC1)NC1CCCCC1O.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is TYGWHSBDADIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-14-9-5-4-8-13(14)18-16(22)19-15-10-11-17-20(15)12-6-2-1-3-7-12/h10-14,21H,1-9H2,(H2,18,19,22).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea?
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111116972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).