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

C20H18ClN3O — CID 141302646

IUPAC4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCC(C)Oc1ccc(-c2cc(-c3cccc4[nH]ccc34)[nH]n2)cc1Cl
InChIInChI=1S/C20H18ClN3O/c1-12(2)25-20-7-6-13(10-16(20)21)18-11-19(24-23-18)14-4-3-5-17-15(14)8-9-22-17/h3-12,22H,1-2H3,(H,23,24)
InChIKeyCEAQXIKGWSRLDJ-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.67
Rot. Bonds4

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

4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole (PubChem CID 141302646) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
PubChem CID141302646
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCC(C)Oc1ccc(-c2cc(-c3cccc4[nH]ccc34)[nH]n2)cc1Cl
InChIInChI=1S/C20H18ClN3O/c1-12(2)25-20-7-6-13(10-16(20)21)18-11-19(24-23-18)14-4-3-5-17-15(14)8-9-22-17/h3-12,22H,1-2H3,(H,23,24)
InChIKeyCEAQXIKGWSRLDJ-UHFFFAOYSA-N
XLogP5.67
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 141211740
3-chloro-5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole
CID 141318667
3-chloro-4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]aniline
CID 141302640
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
(Z)-3-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]phenyl]prop-2-enoic acid
CID 141302639
4-[5-(2-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54853323
3-[5-(3-bromo-4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54853025
5-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 155516004
4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141258113
3-(3-bromo-2-methylphenyl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 67290027
4-(2,3-dichlorophenyl)-1H-indole
CID 172647420

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole (CID 141302646) is 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole is CC(C)Oc1ccc(-c2cc(-c3cccc4[nH]ccc34)[nH]n2)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is CEAQXIKGWSRLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-12(2)25-20-7-6-13(10-16(20)21)18-11-19(24-23-18)14-4-3-5-17-15(14)8-9-22-17/h3-12,22H,1-2H3,(H,23,24).
What are the key properties of 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole?
4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 351.84 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 141302646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).