1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine

C14H19ClN4O — CID 79151277

IUPAC1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(C)ccc1OCc1c(Cl)c(C)nn1C
InChIInChI=1S/C14H19ClN4O/c1-9-5-6-13(11(17-9)7-16-3)20-8-12-14(15)10(2)18-19(12)4/h5-6,16H,7-8H2,1-4H3
InChIKeyFKYNXCZPGYAZCT-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.38
Rot. Bonds5

About 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine

1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine (PubChem CID 79151277) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
PubChem CID79151277
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(C)ccc1OCc1c(Cl)c(C)nn1C
InChIInChI=1S/C14H19ClN4O/c1-9-5-6-13(11(17-9)7-16-3)20-8-12-14(15)10(2)18-19(12)4/h5-6,16H,7-8H2,1-4H3
InChIKeyFKYNXCZPGYAZCT-UHFFFAOYSA-N
XLogP2.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679
1-[3-[(4-methoxyphenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79150973
N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150580
2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
CID 79168716
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686227
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107663259
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
N-methyl-1-[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150645
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100007
1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine
CID 79151354

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine (CID 79151277) is 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine is CNCc1nc(C)ccc1OCc1c(Cl)c(C)nn1C.
What is the InChIKey of 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
The InChIKey is FKYNXCZPGYAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9-5-6-13(11(17-9)7-16-3)20-8-12-14(15)10(2)18-19(12)4/h5-6,16H,7-8H2,1-4H3.
What are the key properties of 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine has a molecular weight of 294.79 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 79151277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).