1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

C14H24N4O — CID 47038710

IUPAC1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NC1CCCCC1C
InChIInChI=1S/C14H24N4O/c1-11-6-3-4-7-13(11)17-14(19)16-12(2)10-18-9-5-8-15-18/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H2,16,17,19)
InChIKeyLWSHSTNGLBUAQN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 47038710) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID47038710
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NC1CCCCC1C
InChIInChI=1S/C14H24N4O/c1-11-6-3-4-7-13(11)17-14(19)16-12(2)10-18-9-5-8-15-18/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H2,16,17,19)
InChIKeyLWSHSTNGLBUAQN-UHFFFAOYSA-N
XLogP2.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 47038710) is 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)NC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is LWSHSTNGLBUAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-6-3-4-7-13(11)17-14(19)16-12(2)10-18-9-5-8-15-18/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 264.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 47038710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).