[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride

C10H17ClN4O — CID 119632620

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
SMILESCl.Cn1nccc1C(=O)N1CCCC1CN
InChIInChI=1S/C10H16N4O.ClH/c1-13-9(4-5-12-13)10(15)14-6-2-3-8(14)7-11;/h4-5,8H,2-3,6-7,11H2,1H3;1H
InChIKeyTWCLBEUYDRIMLK-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.41
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride (PubChem CID 119632620) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
PubChem CID119632620
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
SMILESCl.Cn1nccc1C(=O)N1CCCC1CN
InChIInChI=1S/C10H16N4O.ClH/c1-13-9(4-5-12-13)10(15)14-6-2-3-8(14)7-11;/h4-5,8H,2-3,6-7,11H2,1H3;1H
InChIKeyTWCLBEUYDRIMLK-UHFFFAOYSA-N
XLogP0.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 163339849
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124696902
[2-(aminomethyl)azepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 116639984
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95596963
1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
CID 131052375
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119631123
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride (CID 119632620) is [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride is Cl.Cn1nccc1C(=O)N1CCCC1CN.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride?
The InChIKey is TWCLBEUYDRIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-13-9(4-5-12-13)10(15)14-6-2-3-8(14)7-11;/h4-5,8H,2-3,6-7,11H2,1H3;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119632620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).