1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine

C13H18N4O — CID 105186196

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cccnc1C)c1c(OC)cnn1C
InChIInChI=1S/C13H18N4O/c1-9-10(6-5-7-15-9)12(14-2)13-11(18-4)8-16-17(13)3/h5-8,12,14H,1-4H3
InChIKeySMBGFBXPFMMTTO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine (PubChem CID 105186196) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
PubChem CID105186196
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cccnc1C)c1c(OC)cnn1C
InChIInChI=1S/C13H18N4O/c1-9-10(6-5-7-15-9)12(14-2)13-11(18-4)8-16-17(13)3/h5-8,12,14H,1-4H3
InChIKeySMBGFBXPFMMTTO-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
1-(4-methoxy-1-propylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105187148
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 114652591
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine (CID 105186196) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine is CNC(c1cccnc1C)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is SMBGFBXPFMMTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-10(6-5-7-15-9)12(14-2)13-11(18-4)8-16-17(13)3/h5-8,12,14H,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105186196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).