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

C16H23N5 — CID 120834049

IUPAC1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1
InChIInChI=1S/C16H23N5/c1-12-15(11-20-9-7-14(10-20)17-3)13(2)21(19-12)16-6-4-5-8-18-16/h4-6,8,14,17H,7,9-11H2,1-3H3
InChIKeyKYBSRYIFCYYIJK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.68
Rot. Bonds4

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

1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 120834049) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID120834049
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1
InChIInChI=1S/C16H23N5/c1-12-15(11-20-9-7-14(10-20)17-3)13(2)21(19-12)16-6-4-5-8-18-16/h4-6,8,14,17H,7,9-11H2,1-3H3
InChIKeyKYBSRYIFCYYIJK-UHFFFAOYSA-N
XLogP1.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843469
(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
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
[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
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846631
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75470933
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
CID 6710997

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine (CID 120834049) is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is KYBSRYIFCYYIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-15(11-20-9-7-14(10-20)17-3)13(2)21(19-12)16-6-4-5-8-18-16/h4-6,8,14,17H,7,9-11H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 1.68, 4 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]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 120834049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).