1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea

C19H24N4O2 — CID 22434429

IUPAC1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)c1
InChIInChI=1S/C19H24N4O2/c1-13-17(14-8-5-4-6-9-14)18(23(2)22-13)21-19(24)20-15-10-7-11-16(12-15)25-3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,20,21,24)
InChIKeySJGKUEGEGNPXCZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.34
Rot. Bonds4

About 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea

1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea (PubChem CID 22434429) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea
PubChem CID22434429
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)c1
InChIInChI=1S/C19H24N4O2/c1-13-17(14-8-5-4-6-9-14)18(23(2)22-13)21-19(24)20-15-10-7-11-16(12-15)25-3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,20,21,24)
InChIKeySJGKUEGEGNPXCZ-UHFFFAOYSA-N
XLogP4.34
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea (CID 22434429) is 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)c1.
What is the InChIKey of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is SJGKUEGEGNPXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-17(14-8-5-4-6-9-14)18(23(2)22-13)21-19(24)20-15-10-7-11-16(12-15)25-3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea?
1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 340.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 22434429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).