4-(7-chloro-1-cyclopentylindazol-3-yl)phenol

C18H17ClN2O — CID 135476471

IUPAC4-(7-chloro-1-cyclopentylindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C18H17ClN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2
InChIKeyNDUBFDHNGRZGIL-UHFFFAOYSA-N
MW312.80 g/mol
LogP5.18
Rot. Bonds2

About 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol

4-(7-chloro-1-cyclopentylindazol-3-yl)phenol (PubChem CID 135476471) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(7-chloro-1-cyclopentylindazol-3-yl)phenol
PubChem CID135476471
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name4-(7-chloro-1-cyclopentylindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C18H17ClN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2
InChIKeyNDUBFDHNGRZGIL-UHFFFAOYSA-N
XLogP5.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.80
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol?
The IUPAC name of 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol (CID 135476471) is 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol.
What is the SMILES notation for 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol?
The canonical SMILES for 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol is Oc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)cc1.
What is the InChIKey of 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol?
The InChIKey is NDUBFDHNGRZGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2.
What are the key properties of 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol?
4-(7-chloro-1-cyclopentylindazol-3-yl)phenol has a molecular weight of 312.80 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-cyclopentylindazol-3-yl)phenol is sourced from PubChem (CID 135476471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).