1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine

C16H22ClN3O — CID 115952218

IUPAC1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCCn1nc(C)c(Cl)c1COc1c(C)cccc1CNC
InChIInChI=1S/C16H22ClN3O/c1-5-20-14(15(17)12(3)19-20)10-21-16-11(2)7-6-8-13(16)9-18-4/h6-8,18H,5,9-10H2,1-4H3
InChIKeyURQBFAZHMKAJLF-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine

1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952218) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115952218
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCCn1nc(C)c(Cl)c1COc1c(C)cccc1CNC
InChIInChI=1S/C16H22ClN3O/c1-5-20-14(15(17)12(3)19-20)10-21-16-11(2)7-6-8-13(16)9-18-4/h6-8,18H,5,9-10H2,1-4H3
InChIKeyURQBFAZHMKAJLF-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952144
4-chloro-5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 112613378
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
CID 115960875
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608449
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952206
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115952218) is 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine is CCn1nc(C)c(Cl)c1COc1c(C)cccc1CNC.
What is the InChIKey of 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is URQBFAZHMKAJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-5-20-14(15(17)12(3)19-20)10-21-16-11(2)7-6-8-13(16)9-18-4/h6-8,18H,5,9-10H2,1-4H3.
What are the key properties of 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).