(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine

C13H18N4O — CID 105175242

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCCc1cc(C(N)c2cncc(OC)c2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-4-10-6-12(17(2)16-10)13(14)9-5-11(18-3)8-15-7-9/h5-8,13H,4,14H2,1-3H3
InChIKeyNRCAIKGBWQLDSI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.43
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine

(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 105175242) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID105175242
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCCc1cc(C(N)c2cncc(OC)c2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-4-10-6-12(17(2)16-10)13(14)9-5-11(18-3)8-15-7-9/h5-8,13H,4,14H2,1-3H3
InChIKeyNRCAIKGBWQLDSI-UHFFFAOYSA-N
XLogP1.43
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175625
[(3-ethyl-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283558
(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 105102122
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105145074
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
CID 105187884
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine (CID 105175242) is (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine is CCc1cc(C(N)c2cncc(OC)c2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is NRCAIKGBWQLDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-10-6-12(17(2)16-10)13(14)9-5-11(18-3)8-15-7-9/h5-8,13H,4,14H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine?
(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105175242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).