5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine

C13H14ClN3O — CID 117414124

IUPAC5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)cc2c(c1Cl)CCC2
InChIInChI=1S/C13H14ClN3O/c1-18-13-9(10-6-11(15)17-16-10)5-7-3-2-4-8(7)12(13)14/h5-6H,2-4H2,1H3,(H3,15,16,17)
InChIKeyOFXFDLXMZVVQNU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.81
Rot. Bonds2

About 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine

5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine (PubChem CID 117414124) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine
PubChem CID117414124
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)cc2c(c1Cl)CCC2
InChIInChI=1S/C13H14ClN3O/c1-18-13-9(10-6-11(15)17-16-10)5-7-3-2-4-8(7)12(13)14/h5-6H,2-4H2,1H3,(H3,15,16,17)
InChIKeyOFXFDLXMZVVQNU-UHFFFAOYSA-N
XLogP2.81
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine (CID 117414124) is 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine is COc1c(-c2cc(N)n[nH]2)cc2c(c1Cl)CCC2.
What is the InChIKey of 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine?
The InChIKey is OFXFDLXMZVVQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-13-9(10-6-11(15)17-16-10)5-7-3-2-4-8(7)12(13)14/h5-6H,2-4H2,1H3,(H3,15,16,17).
What are the key properties of 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine?
5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine has a molecular weight of 263.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117414124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).