[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine

C13H18N4 — CID 113379458

IUPAC[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C13H18N4/c1-9(2)12-4-5-17(16-12)13-7-11(8-14)6-10(3)15-13/h4-7,9H,8,14H2,1-3H3
InChIKeySWPFRZAPNZTYGF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.16
Rot. Bonds3

About [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine

[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 113379458) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID113379458
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C13H18N4/c1-9(2)12-4-5-17(16-12)13-7-11(8-14)6-10(3)15-13/h4-7,9H,8,14H2,1-3H3
InChIKeySWPFRZAPNZTYGF-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 62488465
2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
CID 80857482
4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine
CID 80736296
[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol
CID 62491929
5-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyridin-4-amine
CID 83265766
N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
CID 80965264
N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methanamine
CID 66450168
2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
CID 118593098
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol
CID 106667672
N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide
CID 81054872
[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
CID 62489173
N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine
CID 62491947

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine (CID 113379458) is [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine is Cc1cc(CN)cc(-n2ccc(C(C)C)n2)n1.
What is the InChIKey of [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is SWPFRZAPNZTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)12-4-5-17(16-12)13-7-11(8-14)6-10(3)15-13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine?
[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 113379458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).