1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine

C13H18N4 — CID 83840488

IUPAC1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine
SMILESCn1nc(NCC2CCNC2)c2ccccc21
InChIInChI=1S/C13H18N4/c1-17-12-5-3-2-4-11(12)13(16-17)15-9-10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)
InChIKeyNSMLBZZSBMEYHU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.59
Rot. Bonds3

About 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine

1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine (PubChem CID 83840488) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine
PubChem CID83840488
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine
SMILESCn1nc(NCC2CCNC2)c2ccccc21
InChIInChI=1S/C13H18N4/c1-17-12-5-3-2-4-11(12)13(16-17)15-9-10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)
InChIKeyNSMLBZZSBMEYHU-UHFFFAOYSA-N
XLogP1.59
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
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CID 12889914
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
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2-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563795
N-[[(3R)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178374
N-(piperidin-3-ylmethyl)-1,2-benzothiazol-3-amine
CID 71636815
4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine?
The IUPAC name of 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine (CID 83840488) is 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine.
What is the SMILES notation for 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine?
The canonical SMILES for 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine is Cn1nc(NCC2CCNC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine?
The InChIKey is NSMLBZZSBMEYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-12-5-3-2-4-11(12)13(16-17)15-9-10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine?
1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine is sourced from PubChem (CID 83840488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).