[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C10H16N4O — CID 120808347

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-10(6-11)3-5-14(7-10)9(15)8-2-4-12-13-8/h2,4H,3,5-7,11H2,1H3,(H,12,13)
InChIKeyBUHUATKDYXNICZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.22
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 120808347) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID120808347
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-10(6-11)3-5-14(7-10)9(15)8-2-4-12-13-8/h2,4H,3,5-7,11H2,1H3,(H,12,13)
InChIKeyBUHUATKDYXNICZ-UHFFFAOYSA-N
XLogP0.22
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155722
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]propan-1-one
CID 120807183
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120804781

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 120808347) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is CC1(CN)CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is BUHUATKDYXNICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(6-11)3-5-14(7-10)9(15)8-2-4-12-13-8/h2,4H,3,5-7,11H2,1H3,(H,12,13).
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 120808347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).