1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C14H24N4O — CID 71868289

IUPAC1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC1CCC(NC(=O)NC(C)c2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4O/c1-10-4-6-13(7-5-10)17-14(19)16-11(2)12-8-15-18(3)9-12/h8-11,13H,4-7H2,1-3H3,(H2,16,17,19)
InChIKeyZVSUVIMCZMVNNK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 71868289) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID71868289
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC1CCC(NC(=O)NC(C)c2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4O/c1-10-4-6-13(7-5-10)17-14(19)16-11(2)12-8-15-18(3)9-12/h8-11,13H,4-7H2,1-3H3,(H2,16,17,19)
InChIKeyZVSUVIMCZMVNNK-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95932504
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111631153
1-[(2S,3S)-2-(2-methylpropyl)oxan-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 129471752
2-chloro-N-cyclopropyl-2-(1-methylpyrazol-4-yl)acetamide
CID 62225884
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 122143288
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylcyclohexyl)urea
CID 75833131
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96518684
1-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96518681
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 71868289) is 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is CC1CCC(NC(=O)NC(C)c2cnn(C)c2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is ZVSUVIMCZMVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-4-6-13(7-5-10)17-14(19)16-11(2)12-8-15-18(3)9-12/h8-11,13H,4-7H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71868289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).