1-(1-methylindazol-3-yl)pyrrolidin-3-amine

C12H16N4 — CID 83835920

IUPAC1-(1-methylindazol-3-yl)pyrrolidin-3-amine
SMILESCn1nc(N2CCC(N)C2)c2ccccc21
InChIInChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)12(14-15)16-7-6-9(13)8-16/h2-5,9H,6-8,13H2,1H3
InChIKeyLUOXTUSOQBESGO-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.11
Rot. Bonds1

About 1-(1-methylindazol-3-yl)pyrrolidin-3-amine

1-(1-methylindazol-3-yl)pyrrolidin-3-amine (PubChem CID 83835920) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)pyrrolidin-3-amine
PubChem CID83835920
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1-methylindazol-3-yl)pyrrolidin-3-amine
SMILESCn1nc(N2CCC(N)C2)c2ccccc21
InChIInChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)12(14-15)16-7-6-9(13)8-16/h2-5,9H,6-8,13H2,1H3
InChIKeyLUOXTUSOQBESGO-UHFFFAOYSA-N
XLogP1.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole
CID 176552580
(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
CID 71643811
2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile
CID 67060658
3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80562974
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 59627409
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71643054

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1-methylindazol-3-yl)pyrrolidin-3-amine (CID 83835920) is 1-(1-methylindazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1-methylindazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1-methylindazol-3-yl)pyrrolidin-3-amine is Cn1nc(N2CCC(N)C2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)pyrrolidin-3-amine?
The InChIKey is LUOXTUSOQBESGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)12(14-15)16-7-6-9(13)8-16/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)pyrrolidin-3-amine?
1-(1-methylindazol-3-yl)pyrrolidin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 83835920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).