1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea

C20H19FN4O — CID 70789111

IUPAC1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O/c21-15-5-4-6-16(12-15)22-20(26)23-19-13-17(11-14-9-10-14)24-25(19)18-7-2-1-3-8-18/h1-8,12-14H,9-11H2,(H2,22,23,26)
InChIKeyKUICHCUXYZKNOO-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.61
Rot. Bonds5

About 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea

1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea (PubChem CID 70789111) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea
PubChem CID70789111
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O/c21-15-5-4-6-16(12-15)22-20(26)23-19-13-17(11-14-9-10-14)24-25(19)18-7-2-1-3-8-18/h1-8,12-14H,9-11H2,(H2,22,23,26)
InChIKeyKUICHCUXYZKNOO-UHFFFAOYSA-N
XLogP4.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)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-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea (CID 70789111) is 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1.
What is the InChIKey of 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea?
The InChIKey is KUICHCUXYZKNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-5-4-6-16(12-15)22-20(26)23-19-13-17(11-14-9-10-14)24-25(19)18-7-2-1-3-8-18/h1-8,12-14H,9-11H2,(H2,22,23,26).
What are the key properties of 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea?
1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea has a molecular weight of 350.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 70789111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).