2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C15H23N5O — CID 114648971

IUPAC2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)c1ncccc1C
InChIInChI=1S/C15H23N5O/c1-11-6-5-7-17-14(11)13(16)15-12(21-4)10-18-20(15)9-8-19(2)3/h5-7,10,13H,8-9,16H2,1-4H3
InChIKeyYFNXBOXCZUDQAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.20
Rot. Bonds6

About 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114648971) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114648971
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)c1ncccc1C
InChIInChI=1S/C15H23N5O/c1-11-6-5-7-17-14(11)13(16)15-12(21-4)10-18-20(15)9-8-19(2)3/h5-7,10,13H,8-9,16H2,1-4H3
InChIKeyYFNXBOXCZUDQAK-UHFFFAOYSA-N
XLogP1.20
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
CID 114648978
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
2-[5-[amino-(5-methylfuran-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039854
2-[5-[amino-(1-methylimidazol-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114659273
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648991
2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182790
2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039846
2-[5-[amino-(2-bromofuran-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 106858616
[(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209168
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
CID 105182777
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine
CID 114649419

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 114648971) is 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is COc1cnn(CCN(C)C)c1C(N)c1ncccc1C.
What is the InChIKey of 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is YFNXBOXCZUDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-6-5-7-17-14(11)13(16)15-12(21-4)10-18-20(15)9-8-19(2)3/h5-7,10,13H,8-9,16H2,1-4H3.
What are the key properties of 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 289.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114648971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).