1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea

C17H21FN4O2 — CID 86792722

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
SMILESCOc1c(CNC(=O)NC2CC2c2ccccc2F)c(C)nn1C
InChIInChI=1S/C17H21FN4O2/c1-10-13(16(24-3)22(2)21-10)9-19-17(23)20-15-8-12(15)11-6-4-5-7-14(11)18/h4-7,12,15H,8-9H2,1-3H3,(H2,19,20,23)
InChIKeyCMBMDGQTUJHCNH-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea

1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 86792722) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
PubChem CID86792722
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
SMILESCOc1c(CNC(=O)NC2CC2c2ccccc2F)c(C)nn1C
InChIInChI=1S/C17H21FN4O2/c1-10-13(16(24-3)22(2)21-10)9-19-17(23)20-15-8-12(15)11-6-4-5-7-14(11)18/h4-7,12,15H,8-9H2,1-3H3,(H2,19,20,23)
InChIKeyCMBMDGQTUJHCNH-UHFFFAOYSA-N
XLogP2.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]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-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea (CID 86792722) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea is COc1c(CNC(=O)NC2CC2c2ccccc2F)c(C)nn1C.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is CMBMDGQTUJHCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-10-13(16(24-3)22(2)21-10)9-19-17(23)20-15-8-12(15)11-6-4-5-7-14(11)18/h4-7,12,15H,8-9H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 86792722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).