[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine

C13H18N4 — CID 61237579

IUPAC[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCCc1c(C)nn(-c2ccc(CN)cn2)c1C
InChIInChI=1S/C13H18N4/c1-4-12-9(2)16-17(10(12)3)13-6-5-11(7-14)8-15-13/h5-6,8H,4,7,14H2,1-3H3
InChIKeyCZIHSNPYMKNWPE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.91
Rot. Bonds3

About [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine

[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 61237579) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
PubChem CID61237579
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCCc1c(C)nn(-c2ccc(CN)cn2)c1C
InChIInChI=1S/C13H18N4/c1-4-12-9(2)16-17(10(12)3)13-6-5-11(7-14)8-15-13/h5-6,8H,4,7,14H2,1-3H3
InChIKeyCZIHSNPYMKNWPE-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine (CID 61237579) is [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine is CCc1c(C)nn(-c2ccc(CN)cn2)c1C.
What is the InChIKey of [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is CZIHSNPYMKNWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-12-9(2)16-17(10(12)3)13-6-5-11(7-14)8-15-13/h5-6,8H,4,7,14H2,1-3H3.
What are the key properties of [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 61237579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).