[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine

C13H18N4O — CID 79163176

IUPAC[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCc2cc(C)nn2C)c(CN)n1
InChIInChI=1S/C13H18N4O/c1-9-4-5-13(12(7-14)15-9)18-8-11-6-10(2)16-17(11)3/h4-6H,7-8,14H2,1-3H3
InChIKeyPPTJBPNQACOCDO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.47
Rot. Bonds4

About [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine

[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine (PubChem CID 79163176) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
PubChem CID79163176
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCc2cc(C)nn2C)c(CN)n1
InChIInChI=1S/C13H18N4O/c1-9-4-5-13(12(7-14)15-9)18-8-11-6-10(2)16-17(11)3/h4-6H,7-8,14H2,1-3H3
InChIKeyPPTJBPNQACOCDO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 107665501
[6-methyl-3-[(3-propylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79163082
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79151176
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
CID 58858055
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
CID 102999840
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 102723852
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79151556

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine (CID 79163176) is [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine is Cc1ccc(OCc2cc(C)nn2C)c(CN)n1.
What is the InChIKey of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The InChIKey is PPTJBPNQACOCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-5-13(12(7-14)15-9)18-8-11-6-10(2)16-17(11)3/h4-6H,7-8,14H2,1-3H3.
What are the key properties of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine?
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 79163176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).