[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride

C17H29ClN4O — CID 120807392

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1.Cl
InChIInChI=1S/C17H28N4O.ClH/c1-16(2,3)21-14(12-5-6-12)9-13(19-21)15(22)20-8-7-17(4,10-18)11-20;/h9,12H,5-8,10-11,18H2,1-4H3;1H
InChIKeyVURHTXMHBISHEX-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.75
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride (PubChem CID 120807392) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride
PubChem CID120807392
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1.Cl
InChIInChI=1S/C17H28N4O.ClH/c1-16(2,3)21-14(12-5-6-12)9-13(19-21)15(22)20-8-7-17(4,10-18)11-20;/h9,12H,5-8,10-11,18H2,1-4H3;1H
InChIKeyVURHTXMHBISHEX-UHFFFAOYSA-N
XLogP2.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119252037
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129414668
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124682575
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 120803983
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120805504
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995335
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096989
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride (CID 120807392) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride is CC1(CN)CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride?
The InChIKey is VURHTXMHBISHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.ClH/c1-16(2,3)21-14(12-5-6-12)9-13(19-21)15(22)20-8-7-17(4,10-18)11-20;/h9,12H,5-8,10-11,18H2,1-4H3;1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120807392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).