N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine

C12H16N4O — CID 62128287

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
SMILESCCn1cc(CNc2ccc(OC)nc2)cn1
InChIInChI=1S/C12H16N4O/c1-3-16-9-10(7-15-16)6-13-11-4-5-12(17-2)14-8-11/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyDPCLKQVUOLUJBY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.92
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine (PubChem CID 62128287) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
PubChem CID62128287
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
SMILESCCn1cc(CNc2ccc(OC)nc2)cn1
InChIInChI=1S/C12H16N4O/c1-3-16-9-10(7-15-16)6-13-11-4-5-12(17-2)14-8-11/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyDPCLKQVUOLUJBY-UHFFFAOYSA-N
XLogP1.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
N-[(1-ethylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 103823635
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103934431

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine (CID 62128287) is N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine is CCn1cc(CNc2ccc(OC)nc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is DPCLKQVUOLUJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-16-9-10(7-15-16)6-13-11-4-5-12(17-2)14-8-11/h4-5,7-9,13H,3,6H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 62128287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).