N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine

C12H16N4O — CID 106048244

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
SMILESCOc1cc(NCc2cnn(C)c2C)ccn1
InChIInChI=1S/C12H16N4O/c1-9-10(8-15-16(9)2)7-14-11-4-5-13-12(6-11)17-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyOJPOVQJDPZVUJB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.74
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine (PubChem CID 106048244) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
PubChem CID106048244
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
SMILESCOc1cc(NCc2cnn(C)c2C)ccn1
InChIInChI=1S/C12H16N4O/c1-9-10(8-15-16(9)2)7-14-11-4-5-13-12(6-11)17-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyOJPOVQJDPZVUJB-UHFFFAOYSA-N
XLogP1.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 106048173
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-diethoxyaniline
CID 79568768
2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
CID 79568798
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 79578632
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
methyl 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]acetate
CID 79570390
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 79579160

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine (CID 106048244) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine is COc1cc(NCc2cnn(C)c2C)ccn1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine?
The InChIKey is OJPOVQJDPZVUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-10(8-15-16(9)2)7-14-11-4-5-13-12(6-11)17-3/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine is sourced from PubChem (CID 106048244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).