2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

C17H26N4 — CID 80639024

IUPAC2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1-n1ccc(C(C)C)n1
InChIInChI=1S/C17H26N4/c1-12(2)15-7-8-21(20-15)16-13(3)9-14(10-18-16)11-19-17(4,5)6/h7-10,12,19H,11H2,1-6H3
InChIKeyCSOQRAFTJBYULG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80639024) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID80639024
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1-n1ccc(C(C)C)n1
InChIInChI=1S/C17H26N4/c1-12(2)15-7-8-21(20-15)16-13(3)9-14(10-18-16)11-19-17(4,5)6/h7-10,12,19H,11H2,1-6H3
InChIKeyCSOQRAFTJBYULG-UHFFFAOYSA-N
XLogP3.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
CID 80632719
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62490052
N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854597
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
CID 62489173
N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62491063
2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769
N-[[6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62491762
2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629274
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62351844
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 80639024) is 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)cnc1-n1ccc(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is CSOQRAFTJBYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)15-7-8-21(20-15)16-13(3)9-14(10-18-16)11-19-17(4,5)6/h7-10,12,19H,11H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80639024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).