3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole

C19H13ClF3N3O — CID 141318673

IUPAC3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2cc(-c3ccc4[nH]cc(Cl)c4c3)[nH]n2)cc1C(F)(F)F
InChIInChI=1S/C19H13ClF3N3O/c1-27-18-5-3-11(7-13(18)19(21,22)23)17-8-16(25-26-17)10-2-4-15-12(6-10)14(20)9-24-15/h2-9,24H,1H3,(H,25,26)
InChIKeyVWLUQJCTMBJSPX-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.91
Rot. Bonds3

About 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole

3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole (PubChem CID 141318673) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole
PubChem CID141318673
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2cc(-c3ccc4[nH]cc(Cl)c4c3)[nH]n2)cc1C(F)(F)F
InChIInChI=1S/C19H13ClF3N3O/c1-27-18-5-3-11(7-13(18)19(21,22)23)17-8-16(25-26-17)10-2-4-15-12(6-10)14(20)9-24-15/h2-9,24H,1H3,(H,25,26)
InChIKeyVWLUQJCTMBJSPX-UHFFFAOYSA-N
XLogP5.91
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazol-6-amine
CID 23647435
US9675697, Cpd. No. 33
CID 90388367
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 162643463
1-(4-methoxy-3-methylphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16192327
3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine
CID 177660768
4-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 71448705
3-(3-fluorophenyl)-4-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 132457250
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]pyridin-3-yl]propan-2-amine
CID 11197934
(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine
CID 20744782
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]pyridin-3-yl]propan-2-amine;trihydrochloride
CID 23134569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole (CID 141318673) is 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole is COc1ccc(-c2cc(-c3ccc4[nH]cc(Cl)c4c3)[nH]n2)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is VWLUQJCTMBJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c1-27-18-5-3-11(7-13(18)19(21,22)23)17-8-16(25-26-17)10-2-4-15-12(6-10)14(20)9-24-15/h2-9,24H,1H3,(H,25,26).
What are the key properties of 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole?
3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 391.78 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 141318673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).