1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea

C13H22N4O — CID 17270110

IUPAC1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
SMILESCCn1nccc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-2-17-12(8-9-15-17)10-14-13(18)16-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H2,14,16,18)
InChIKeyHCVPECBDJDXECO-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.03
Rot. Bonds4

About 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea

1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea (PubChem CID 17270110) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
PubChem CID17270110
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
SMILESCCn1nccc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-2-17-12(8-9-15-17)10-14-13(18)16-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H2,14,16,18)
InChIKeyHCVPECBDJDXECO-UHFFFAOYSA-N
XLogP2.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea (CID 17270110) is 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea is CCn1nccc1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea?
The InChIKey is HCVPECBDJDXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-12(8-9-15-17)10-14-13(18)16-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H2,14,16,18).
What are the key properties of 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea?
1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea has a molecular weight of 250.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 17270110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).