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

C14H24N4O — CID 831712

IUPAC1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C14H24N4O/c1-3-18-10-12(11(2)17-18)9-15-14(19)16-13-7-5-4-6-8-13/h10,13H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeySGZHZQZATSQJTA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds4

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

1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea (PubChem CID 831712) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
PubChem CID831712
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C14H24N4O/c1-3-18-10-12(11(2)17-18)9-15-14(19)16-13-7-5-4-6-8-13/h10,13H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeySGZHZQZATSQJTA-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea (CID 831712) is 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea is CCn1cc(CNC(=O)NC2CCCCC2)c(C)n1.
What is the InChIKey of 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
The InChIKey is SGZHZQZATSQJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-18-10-12(11(2)17-18)9-15-14(19)16-13-7-5-4-6-8-13/h10,13H,3-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 831712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).