[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol

C15H13Cl2N3O2 — CID 170427533

IUPAC[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol
SMILESOCC1CC1Oc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C15H13Cl2N3O2/c16-10-2-12(22-11-1-7(11)6-21)13-9(8-3-19-20-4-8)5-18-15(13)14(10)17/h2-5,7,11,18,21H,1,6H2,(H,19,20)
InChIKeyZNABOYWLMRBJCR-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.62
Rot. Bonds4

About [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol

[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol (PubChem CID 170427533) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol
PubChem CID170427533
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol
SMILESOCC1CC1Oc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C15H13Cl2N3O2/c16-10-2-12(22-11-1-7(11)6-21)13-9(8-3-19-20-4-8)5-18-15(13)14(10)17/h2-5,7,11,18,21H,1,6H2,(H,19,20)
InChIKeyZNABOYWLMRBJCR-UHFFFAOYSA-N
XLogP3.62
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol with MolForge

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Related Compounds

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol
CID 170427341
2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetonitrile
CID 170427503
6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole
CID 170427328
4-chloro-3-(1H-pyrazol-4-yl)benzoic acid
CID 177367869
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-[3,6,8-tris(1H-pyrazol-4-yl)pyren-1-yl]-1H-pyrazole
CID 156698831
1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 159376123
[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 136702650
3-[[1-[(E)-1-amino-2-[amino(2-hydroxyethyl)amino]ethenyl]-6,7-dichloro-3-(1H-pyrazol-4-yl)indol-4-yl]amino]propan-1-ol
CID 170609962
N-[1-[(E)-1-amino-2-[amino(2-hydroxyethyl)amino]ethenyl]-6,7-dichloro-3-(1H-pyrazol-4-yl)indol-4-yl]acetamide
CID 170609778
2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 143731790
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850

Frequently Asked Questions

What is the IUPAC name of [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol?
The IUPAC name of [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol (CID 170427533) is [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol.
What is the SMILES notation for [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol?
The canonical SMILES for [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol is OCC1CC1Oc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol?
The InChIKey is ZNABOYWLMRBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-10-2-12(22-11-1-7(11)6-21)13-9(8-3-19-20-4-8)5-18-15(13)14(10)17/h2-5,7,11,18,21H,1,6H2,(H,19,20).
What are the key properties of [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol?
[2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol has a molecular weight of 338.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclopropyl]methanol is sourced from PubChem (CID 170427533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).