7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole

C14H14ClN3 — CID 103474991

IUPAC7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
SMILESCc1cc(Cn2ccc3cccc(Cl)c32)n(C)n1
InChIInChI=1S/C14H14ClN3/c1-10-8-12(17(2)16-10)9-18-7-6-11-4-3-5-13(15)14(11)18/h3-8H,9H2,1-2H3
InChIKeySXYWIKMXYPNJAE-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.38
Rot. Bonds2

About 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole

7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole (PubChem CID 103474991) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole.

Molecular Properties

Compound Name7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
PubChem CID103474991
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
SMILESCc1cc(Cn2ccc3cccc(Cl)c32)n(C)n1
InChIInChI=1S/C14H14ClN3/c1-10-8-12(17(2)16-10)9-18-7-6-11-4-3-5-13(15)14(11)18/h3-8H,9H2,1-2H3
InChIKeySXYWIKMXYPNJAE-UHFFFAOYSA-N
XLogP3.38
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole?
The IUPAC name of 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole (CID 103474991) is 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole.
What is the SMILES notation for 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole?
The canonical SMILES for 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole is Cc1cc(Cn2ccc3cccc(Cl)c32)n(C)n1.
What is the InChIKey of 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole?
The InChIKey is SXYWIKMXYPNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-10-8-12(17(2)16-10)9-18-7-6-11-4-3-5-13(15)14(11)18/h3-8H,9H2,1-2H3.
What are the key properties of 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole?
7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole has a molecular weight of 259.74 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole is sourced from PubChem (CID 103474991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).