[3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine

C15H20N4 — CID 170778160

IUPAC[3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine
SMILESCc1cccc(-c2cn(C3CC(CN)C3)nc2C)n1
InChIInChI=1S/C15H20N4/c1-10-4-3-5-15(17-10)14-9-19(18-11(14)2)13-6-12(7-13)8-16/h3-5,9,12-13H,6-8,16H2,1-2H3
InChIKeyBHVQWKQRTXJKCX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds3

About [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine

[3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine (PubChem CID 170778160) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine
PubChem CID170778160
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name[3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine
SMILESCc1cccc(-c2cn(C3CC(CN)C3)nc2C)n1
InChIInChI=1S/C15H20N4/c1-10-4-3-5-15(17-10)14-9-19(18-11(14)2)13-6-12(7-13)8-16/h3-5,9,12-13H,6-8,16H2,1-2H3
InChIKeyBHVQWKQRTXJKCX-UHFFFAOYSA-N
XLogP2.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine?
The IUPAC name of [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine (CID 170778160) is [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine is Cc1cccc(-c2cn(C3CC(CN)C3)nc2C)n1.
What is the InChIKey of [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine?
The InChIKey is BHVQWKQRTXJKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-4-3-5-15(17-10)14-9-19(18-11(14)2)13-6-12(7-13)8-16/h3-5,9,12-13H,6-8,16H2,1-2H3.
What are the key properties of [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine?
[3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methyl-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 170778160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).