[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine

C13H17ClN4 — CID 117416285

IUPAC[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C13H17ClN4/c1-18-7-8(6-15)4-12(18)9-2-3-10-11(5-9)16-17-13(10)14/h2-3,5,8,12H,4,6-7,15H2,1H3,(H,16,17)
InChIKeyNOVDHYRURWYJCW-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.17
Rot. Bonds2

About [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117416285) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117416285
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C13H17ClN4/c1-18-7-8(6-15)4-12(18)9-2-3-10-11(5-9)16-17-13(10)14/h2-3,5,8,12H,4,6-7,15H2,1H3,(H,16,17)
InChIKeyNOVDHYRURWYJCW-UHFFFAOYSA-N
XLogP2.17
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117416285) is [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc2c(Cl)[nH]nc2c1.
What is the InChIKey of [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is NOVDHYRURWYJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-18-7-8(6-15)4-12(18)9-2-3-10-11(5-9)16-17-13(10)14/h2-3,5,8,12H,4,6-7,15H2,1H3,(H,16,17).
What are the key properties of [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 264.76 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117416285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).