2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

C16H24N4 — CID 105074709

IUPAC2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCc1nn(-c2cnccc2CNCC(C)C)c(C)c1C
InChIInChI=1S/C16H24N4/c1-11(2)8-18-9-15-6-7-17-10-16(15)20-14(5)12(3)13(4)19-20/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyZFOAFAYJGMGHJO-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105074709) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105074709
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCc1nn(-c2cnccc2CNCC(C)C)c(C)c1C
InChIInChI=1S/C16H24N4/c1-11(2)8-18-9-15-6-7-17-10-16(15)20-14(5)12(3)13(4)19-20/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyZFOAFAYJGMGHJO-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81253654
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[5-bromo-2-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62287917
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074627
N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072754
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539529
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074066
4-(3,4,5-trimethylpyrazol-1-yl)pyridin-3-amine
CID 61224963
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81229473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105074709) is 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is Cc1nn(-c2cnccc2CNCC(C)C)c(C)c1C.
What is the InChIKey of 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is ZFOAFAYJGMGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)8-18-9-15-6-7-17-10-16(15)20-14(5)12(3)13(4)19-20/h6-7,10-11,18H,8-9H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105074709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).