1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole

C19H15ClFN3 — CID 137458583

IUPAC1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole
SMILESCc1nn(C)c(-n2ccc3ccccc32)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H15ClFN3/c1-12-18(15-8-7-14(21)11-16(15)20)19(23(2)22-12)24-10-9-13-5-3-4-6-17(13)24/h3-11H,1-2H3
InChIKeyNGKOVYGIHUZFAT-UHFFFAOYSA-N
MW339.80 g/mol
LogP5.13
Rot. Bonds2

About 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole

1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole (PubChem CID 137458583) has the molecular formula C19H15ClFN3 and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole
PubChem CID137458583
Molecular FormulaC19H15ClFN3
Molecular Weight339.80 g/mol
Exact Mass339.09
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole
SMILESCc1nn(C)c(-n2ccc3ccccc32)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H15ClFN3/c1-12-18(15-8-7-14(21)11-16(15)20)19(23(2)22-12)24-10-9-13-5-3-4-6-17(13)24/h3-11H,1-2H3
InChIKeyNGKOVYGIHUZFAT-UHFFFAOYSA-N
XLogP5.13
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.80
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-Chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]-1-methylindole
CID 11702545
4-(4-Chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine
CID 2095788
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291448
6-fluoro-1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-1H-indole
CID 71585295
8-(2-chlorophenyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 145961243
7-(5-chloro-2-methylphenyl)-2-ethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 664804
5-Amino-3-[2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2871913
5-amino-3-{2-[1-(2-chlorobenzyl)-1H-indol-3-yl]-1-cyanovinyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CID 5289661
3-[2-(2-chloro-6-fluorophenyl)-1-cyanovinyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 5712445
3-[1-cyano-2-(2,6-dichlorophenyl)vinyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 5712446
N-{(1E)-[1-(4-chlorobenzyl)-1H-indol-3-yl]methylene}-4H-1,2,4-triazol-4-amine
CID 6858424
2-(2-chlorophenyl)-7-(2-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 16012911

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole (CID 137458583) is 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole is Cc1nn(C)c(-n2ccc3ccccc32)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole?
The InChIKey is NGKOVYGIHUZFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3/c1-12-18(15-8-7-14(21)11-16(15)20)19(23(2)22-12)24-10-9-13-5-3-4-6-17(13)24/h3-11H,1-2H3.
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole?
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole has a molecular weight of 339.80 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]indole is sourced from PubChem (CID 137458583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).