3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine

C13H18N4O — CID 79404426

IUPAC3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccnc2OC)nn(C)c1N
InChIInChI=1S/C13H18N4O/c1-4-6-9-11(16-17(2)12(9)14)10-7-5-8-15-13(10)18-3/h5,7-8H,4,6,14H2,1-3H3
InChIKeyMLJDDEDIZLWHJC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds4

About 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine

3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79404426) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine
PubChem CID79404426
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccnc2OC)nn(C)c1N
InChIInChI=1S/C13H18N4O/c1-4-6-9-11(16-17(2)12(9)14)10-7-5-8-15-13(10)18-3/h5,7-8H,4,6,14H2,1-3H3
InChIKeyMLJDDEDIZLWHJC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-3-pyridinyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 62874645
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79405618
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine
CID 79803102
3-(3,6-dimethylpyridazin-4-yl)-1-methyl-4-propylpyrazol-5-amine
CID 113439300
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
1-methyl-3-(5-methylthiophen-2-yl)-4-propylpyrazol-5-amine
CID 79406055
ethyl 5-(2-methoxy-3-pyridinyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55184011
3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79406046
3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
CID 79405300
3-(2-methoxy-3-pyridinyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 62875660
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine (CID 79404426) is 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2cccnc2OC)nn(C)c1N.
What is the InChIKey of 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is MLJDDEDIZLWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-6-9-11(16-17(2)12(9)14)10-7-5-8-15-13(10)18-3/h5,7-8H,4,6,14H2,1-3H3.
What are the key properties of 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine?
3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79404426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).