1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea

C17H22N4O2 — CID 2103175

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H22N4O2/c1-23-15-10-6-5-9-14(15)19-17(22)20-16-11-12-18-21(16)13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H2,19,20,22)
InChIKeyALELSSSOCMBLKS-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea

1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea (PubChem CID 2103175) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
PubChem CID2103175
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H22N4O2/c1-23-15-10-6-5-9-14(15)19-17(22)20-16-11-12-18-21(16)13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H2,19,20,22)
InChIKeyALELSSSOCMBLKS-UHFFFAOYSA-N
XLogP4.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea (CID 2103175) is 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is ALELSSSOCMBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-15-10-6-5-9-14(15)19-17(22)20-16-11-12-18-21(16)13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2103175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).