1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea

C24H26ClFN4O2 — CID 70816071

IUPAC1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea
SMILESCC(C)(C)c1cc(CNC(=O)Nc2ccc(C3(O)CC3)c(F)c2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H26ClFN4O2/c1-23(2,3)21-13-18(30(29-21)17-6-4-5-15(25)11-17)14-27-22(31)28-16-7-8-19(20(26)12-16)24(32)9-10-24/h4-8,11-13,32H,9-10,14H2,1-3H3,(H2,27,28,31)
InChIKeyWUGAPYCXEONFON-UHFFFAOYSA-N
MW456.95 g/mol
LogP5.27
Rot. Bonds5

About 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea

1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea (PubChem CID 70816071) has the molecular formula C24H26ClFN4O2 and a molecular weight of 456.95 g/mol. Its IUPAC name is 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea
PubChem CID70816071
Molecular FormulaC24H26ClFN4O2
Molecular Weight456.95 g/mol
Exact Mass456.17
IUPAC Name1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea
SMILESCC(C)(C)c1cc(CNC(=O)Nc2ccc(C3(O)CC3)c(F)c2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H26ClFN4O2/c1-23(2,3)21-13-18(30(29-21)17-6-4-5-15(25)11-17)14-27-22(31)28-16-7-8-19(20(26)12-16)24(32)9-10-24/h4-8,11-13,32H,9-10,14H2,1-3H3,(H2,27,28,31)
InChIKeyWUGAPYCXEONFON-UHFFFAOYSA-N
XLogP5.27
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.95
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]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-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea?
The IUPAC name of 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea (CID 70816071) is 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea.
What is the SMILES notation for 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea?
The canonical SMILES for 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea is CC(C)(C)c1cc(CNC(=O)Nc2ccc(C3(O)CC3)c(F)c2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea?
The InChIKey is WUGAPYCXEONFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2/c1-23(2,3)21-13-18(30(29-21)17-6-4-5-15(25)11-17)14-27-22(31)28-16-7-8-19(20(26)12-16)24(32)9-10-24/h4-8,11-13,32H,9-10,14H2,1-3H3,(H2,27,28,31).
What are the key properties of 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea?
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea has a molecular weight of 456.95 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]urea is sourced from PubChem (CID 70816071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).