1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea

C19H17F3N4O — CID 58349754

IUPAC1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea
SMILESCn1nc(C(C)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-19(21,22)16-15(12-8-10-13(20)11-9-12)17(26(2)25-16)24-18(27)23-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,23,24,27)
InChIKeyLNQRMVXECQEQBP-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.98
Rot. Bonds4

About 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea

1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea (PubChem CID 58349754) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea
PubChem CID58349754
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea
SMILESCn1nc(C(C)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-19(21,22)16-15(12-8-10-13(20)11-9-12)17(26(2)25-16)24-18(27)23-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,23,24,27)
InChIKeyLNQRMVXECQEQBP-UHFFFAOYSA-N
XLogP4.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea 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-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea (CID 58349754) is 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea is Cn1nc(C(C)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
The InChIKey is LNQRMVXECQEQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-19(21,22)16-15(12-8-10-13(20)11-9-12)17(26(2)25-16)24-18(27)23-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,23,24,27).
What are the key properties of 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea has a molecular weight of 374.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea is sourced from PubChem (CID 58349754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).