1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

C16H28N4O2 — CID 111424885

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-12(2)10-13(11-21)18-16(22)19-15-8-9-17-20(15)14-6-4-3-5-7-14/h8-9,12-14,21H,3-7,10-11H2,1-2H3,(H2,18,19,22)
InChIKeyBJNJLQBRRVHSPR-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.92
Rot. Bonds6

About 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 111424885) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID111424885
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-12(2)10-13(11-21)18-16(22)19-15-8-9-17-20(15)14-6-4-3-5-7-14/h8-9,12-14,21H,3-7,10-11H2,1-2H3,(H2,18,19,22)
InChIKeyBJNJLQBRRVHSPR-UHFFFAOYSA-N
XLogP2.92
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 56794173
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
CID 111116972
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-cyclopentyl-N-propan-2-ylpyrazol-3-amine
CID 130683846
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
CID 118777990
N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid
CID 154914576
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 111424885) is 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is BJNJLQBRRVHSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)10-13(11-21)18-16(22)19-15-8-9-17-20(15)14-6-4-3-5-7-14/h8-9,12-14,21H,3-7,10-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 308.43 g/mol, XLogP of 2.92, 6 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-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 111424885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).