2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine

C17H24ClN3 — CID 106867142

IUPAC2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(C(Cc2ccc(C)cc2Cl)NC)n(CC)n1
InChIInChI=1S/C17H24ClN3/c1-5-14-11-17(21(6-2)20-14)16(19-4)10-13-8-7-12(3)9-15(13)18/h7-9,11,16,19H,5-6,10H2,1-4H3
InChIKeyCNBOVDLVUJKVAO-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.93
Rot. Bonds6

About 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine

2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine (PubChem CID 106867142) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
PubChem CID106867142
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(C(Cc2ccc(C)cc2Cl)NC)n(CC)n1
InChIInChI=1S/C17H24ClN3/c1-5-14-11-17(21(6-2)20-14)16(19-4)10-13-8-7-12(3)9-15(13)18/h7-9,11,16,19H,5-6,10H2,1-4H3
InChIKeyCNBOVDLVUJKVAO-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 105160538
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
2-(3-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105169332
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
CID 105111927
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090473
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 106868740

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine (CID 106867142) is 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine is CCc1cc(C(Cc2ccc(C)cc2Cl)NC)n(CC)n1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is CNBOVDLVUJKVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-14-11-17(21(6-2)20-14)16(19-4)10-13-8-7-12(3)9-15(13)18/h7-9,11,16,19H,5-6,10H2,1-4H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 305.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 106867142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).