(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride

C14H19ClN4O — CID 162324070

IUPAC(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
SMILESCC1CC(N)N(C(=O)c2nn(C)c3ccccc23)C1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9-7-12(15)18(8-9)14(19)13-10-5-3-4-6-11(10)17(2)16-13;/h3-6,9,12H,7-8,15H2,1-2H3;1H
InChIKeyUZFZSPNPPJJLTC-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.76
Rot. Bonds1

About (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride

(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride (PubChem CID 162324070) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
PubChem CID162324070
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
SMILESCC1CC(N)N(C(=O)c2nn(C)c3ccccc23)C1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9-7-12(15)18(8-9)14(19)13-10-5-3-4-6-11(10)17(2)16-13;/h3-6,9,12H,7-8,15H2,1-2H3;1H
InChIKeyUZFZSPNPPJJLTC-UHFFFAOYSA-N
XLogP1.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
CID 166081458
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
(2S,4S)-4-amino-1-(1-methylindazole-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713767
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride?
The IUPAC name of (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride (CID 162324070) is (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride?
The canonical SMILES for (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride is CC1CC(N)N(C(=O)c2nn(C)c3ccccc23)C1.Cl.
What is the InChIKey of (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride?
The InChIKey is UZFZSPNPPJJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-9-7-12(15)18(8-9)14(19)13-10-5-3-4-6-11(10)17(2)16-13;/h3-6,9,12H,7-8,15H2,1-2H3;1H.
What are the key properties of (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride?
(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 162324070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).