N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

C13H18N4O — CID 43644985

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2c(C)n[nH]c2C)cn1
InChIInChI=1S/C13H18N4O/c1-9-12(10(2)17-16-9)8-14-6-11-4-5-13(18-3)15-7-11/h4-5,7,14H,6,8H2,1-3H3,(H,16,17)
InChIKeyMMHCDLPESDZXHG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.72
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 43644985) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID43644985
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2c(C)n[nH]c2C)cn1
InChIInChI=1S/C13H18N4O/c1-9-12(10(2)17-16-9)8-14-6-11-4-5-13(18-3)15-7-11/h4-5,7,14H,6,8H2,1-3H3,(H,16,17)
InChIKeyMMHCDLPESDZXHG-UHFFFAOYSA-N
XLogP1.72
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 86808625
1-(6-methoxy-3-pyridinyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748169
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 106263440
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (CID 43644985) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is COc1ccc(CNCc2c(C)n[nH]c2C)cn1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is MMHCDLPESDZXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-12(10(2)17-16-9)8-14-6-11-4-5-13(18-3)15-7-11/h4-5,7,14H,6,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 43644985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).