(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine

C12H16N4 — CID 102812033

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
SMILESCCc1nn(C)cc1C(N)c1cccnc1
InChIInChI=1S/C12H16N4/c1-3-11-10(8-16(2)15-11)12(13)9-5-4-6-14-7-9/h4-8,12H,3,13H2,1-2H3
InChIKeyBUGIEEIHFNHDHL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.43
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine

(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine (PubChem CID 102812033) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
PubChem CID102812033
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
SMILESCCc1nn(C)cc1C(N)c1cccnc1
InChIInChI=1S/C12H16N4/c1-3-11-10(8-16(2)15-11)12(13)9-5-4-6-14-7-9/h4-8,12H,3,13H2,1-2H3
InChIKeyBUGIEEIHFNHDHL-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
CID 103138051
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812303
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812843
3-ethyl-1-methyl-N-(1-phenyl-3-pyridin-3-ylpropyl)pyrazol-4-amine
CID 166253681

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine (CID 102812033) is (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine is CCc1nn(C)cc1C(N)c1cccnc1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine?
The InChIKey is BUGIEEIHFNHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-11-10(8-16(2)15-11)12(13)9-5-4-6-14-7-9/h4-8,12H,3,13H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine?
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 102812033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).