3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole

C13H17N3 — CID 84784140

IUPAC3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
SMILESCc1[nH]nc2ccc(CC3CCNC3)cc12
InChIInChI=1S/C13H17N3/c1-9-12-7-10(2-3-13(12)16-15-9)6-11-4-5-14-8-11/h2-3,7,11,14H,4-6,8H2,1H3,(H,15,16)
InChIKeySYXQTOVSSPFAKG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds2

About 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole

3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole (PubChem CID 84784140) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
PubChem CID84784140
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
SMILESCc1[nH]nc2ccc(CC3CCNC3)cc12
InChIInChI=1S/C13H17N3/c1-9-12-7-10(2-3-13(12)16-15-9)6-11-4-5-14-8-11/h2-3,7,11,14H,4-6,8H2,1H3,(H,15,16)
InChIKeySYXQTOVSSPFAKG-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784139
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
CID 116985837
2,5-bis(pyrrolidin-3-ylmethyl)benzamide
CID 152557233

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole?
The IUPAC name of 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole (CID 84784140) is 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole.
What is the SMILES notation for 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole?
The canonical SMILES for 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole is Cc1[nH]nc2ccc(CC3CCNC3)cc12.
What is the InChIKey of 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole?
The InChIKey is SYXQTOVSSPFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-12-7-10(2-3-13(12)16-15-9)6-11-4-5-14-8-11/h2-3,7,11,14H,4-6,8H2,1H3,(H,15,16).
What are the key properties of 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole?
3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole has a molecular weight of 215.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole is sourced from PubChem (CID 84784140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).