1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C16H24ClN5 — CID 120909142

IUPAC1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CC(C)C(N)C1.Cl
InChIInChI=1S/C16H23N5.ClH/c1-11-8-20(10-15(11)17)9-14-12(2)19-21(13(14)3)16-6-4-5-7-18-16;/h4-7,11,15H,8-10,17H2,1-3H3;1H
InChIKeyHIWVDXJGBNWLRD-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.08
Rot. Bonds3

About 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909142) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909142
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CC(C)C(N)C1.Cl
InChIInChI=1S/C16H23N5.ClH/c1-11-8-20(10-15(11)17)9-14-12(2)19-21(13(14)3)16-6-4-5-7-18-16;/h4-7,11,15H,8-10,17H2,1-3H3;1H
InChIKeyHIWVDXJGBNWLRD-UHFFFAOYSA-N
XLogP2.08
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
(3aS,6aR)-5-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846063
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846631
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909833
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
CID 120834049
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106
2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843469
[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438247
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962758
4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
N'-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842845

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909142) is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is Cc1nn(-c2ccccn2)c(C)c1CN1CC(C)C(N)C1.Cl.
What is the InChIKey of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is HIWVDXJGBNWLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c1-11-8-20(10-15(11)17)9-14-12(2)19-21(13(14)3)16-6-4-5-7-18-16;/h4-7,11,15H,8-10,17H2,1-3H3;1H.
What are the key properties of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).