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

C14H18ClN3 — CID 66155915

IUPAC1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCn1cc(-c2ccc(Cl)cc2CNC)c(C)n1
InChIInChI=1S/C14H18ClN3/c1-4-18-9-14(10(2)17-18)13-6-5-12(15)7-11(13)8-16-3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyCILAEDTYCYEIQV-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.25
Rot. Bonds4

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

1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 66155915) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID66155915
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCn1cc(-c2ccc(Cl)cc2CNC)c(C)n1
InChIInChI=1S/C14H18ClN3/c1-4-18-9-14(10(2)17-18)13-6-5-12(15)7-11(13)8-16-3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyCILAEDTYCYEIQV-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66156509
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66020423
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 66160906
3-chloro-4-(1-ethyl-3-methylpyrazol-4-yl)benzoic acid
CID 81308147
[4-(1-ethyl-3-methylpyrazol-4-yl)-3-fluorophenyl]methanamine
CID 81442104

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine (CID 66155915) is 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine is CCn1cc(-c2ccc(Cl)cc2CNC)c(C)n1.
What is the InChIKey of 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is CILAEDTYCYEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-18-9-14(10(2)17-18)13-6-5-12(15)7-11(13)8-16-3/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66155915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).