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

C16H23N5 — CID 120909143

IUPAC1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C16H23N5/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
InChIKeyVJFWMIPVRAFSIH-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.66
Rot. Bonds3

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

1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909143) 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]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909143
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C16H23N5/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
InChIKeyVJFWMIPVRAFSIH-UHFFFAOYSA-N
XLogP1.66
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine (CID 120909143) is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine is Cc1nn(-c2ccccn2)c(C)c1CN1CC(C)C(N)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is VJFWMIPVRAFSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/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.
What are the key properties of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 1.66, 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 is sourced from PubChem (CID 120909143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).