3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole

C20H17Cl2N3O — CID 141318667

IUPAC3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCC(C)Oc1ccc(-c2cc(-c3ccc4[nH]cc(Cl)c4c3)[nH]n2)cc1Cl
InChIInChI=1S/C20H17Cl2N3O/c1-11(2)26-20-6-4-13(8-15(20)21)19-9-18(24-25-19)12-3-5-17-14(7-12)16(22)10-23-17/h3-11,23H,1-2H3,(H,24,25)
InChIKeyRRYOXANPTZJGHH-UHFFFAOYSA-N
MW386.28 g/mol
LogP6.32
Rot. Bonds4

About 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole

3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole (PubChem CID 141318667) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
PubChem CID141318667
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCC(C)Oc1ccc(-c2cc(-c3ccc4[nH]cc(Cl)c4c3)[nH]n2)cc1Cl
InChIInChI=1S/C20H17Cl2N3O/c1-11(2)26-20-6-4-13(8-15(20)21)19-9-18(24-25-19)12-3-5-17-14(7-12)16(22)10-23-17/h3-11,23H,1-2H3,(H,24,25)
InChIKeyRRYOXANPTZJGHH-UHFFFAOYSA-N
XLogP6.32
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole
CID 141318673
4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
CID 141302646
3-chloro-4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]aniline
CID 141302640
(Z)-3-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]phenyl]prop-2-enoic acid
CID 141302639
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 141242473
4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-2-methylphenoxy]butanoic acid
CID 141302553
3-[5-(3-bromo-4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54853025
5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 141211740
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
2-amino-4-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 98019781
3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 141211738
5-(1-aminoethyl)-3-(3-chloro-4-methoxyphenyl)-1H-pyridazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole (CID 141318667) is 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole is CC(C)Oc1ccc(-c2cc(-c3ccc4[nH]cc(Cl)c4c3)[nH]n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is RRYOXANPTZJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-11(2)26-20-6-4-13(8-15(20)21)19-9-18(24-25-19)12-3-5-17-14(7-12)16(22)10-23-17/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 386.28 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 141318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).