1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea

C21H19ClFN5O — CID 86970051

IUPAC1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19ClFN5O/c22-16-1-4-18(5-2-16)28-13-14(11-27-28)10-26-21(29)24-8-7-15-12-25-20-9-17(23)3-6-19(15)20/h1-6,9,11-13,25H,7-8,10H2,(H2,24,26,29)
InChIKeyWWAYABXTWBGFOF-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.19
Rot. Bonds6

About 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea

1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea (PubChem CID 86970051) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea
PubChem CID86970051
Molecular FormulaC21H19ClFN5O
Molecular Weight411.87 g/mol
Exact Mass411.13
IUPAC Name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19ClFN5O/c22-16-1-4-18(5-2-16)28-13-14(11-27-28)10-26-21(29)24-8-7-15-12-25-20-9-17(23)3-6-19(15)20/h1-6,9,11-13,25H,7-8,10H2,(H2,24,26,29)
InChIKeyWWAYABXTWBGFOF-UHFFFAOYSA-N
XLogP4.19
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111972698
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111973982
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-[2-(1H-indol-3-yl)ethyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55924498
2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 60607081
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71856953
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86968301

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea (CID 86970051) is 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2cc(F)ccc12)NCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea?
The InChIKey is WWAYABXTWBGFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O/c22-16-1-4-18(5-2-16)28-13-14(11-27-28)10-26-21(29)24-8-7-15-12-25-20-9-17(23)3-6-19(15)20/h1-6,9,11-13,25H,7-8,10H2,(H2,24,26,29).
What are the key properties of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea?
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea has a molecular weight of 411.87 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86970051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).