2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine

C17H24ClN3 — CID 79223129

IUPAC2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(Cc2cccc(Cl)c2)c(CC)c1CCNC
InChIInChI=1S/C17H24ClN3/c1-4-16-15(9-10-19-3)17(5-2)21(20-16)12-13-7-6-8-14(18)11-13/h6-8,11,19H,4-5,9-10,12H2,1-3H3
InChIKeyAHCQCYSKGYNLHG-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.47
Rot. Bonds7

About 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine

2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 79223129) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
PubChem CID79223129
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(Cc2cccc(Cl)c2)c(CC)c1CCNC
InChIInChI=1S/C17H24ClN3/c1-4-16-15(9-10-19-3)17(5-2)21(20-16)12-13-7-6-8-14(18)11-13/h6-8,11,19H,4-5,9-10,12H2,1-3H3
InChIKeyAHCQCYSKGYNLHG-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 79225159
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697339
2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 79225010
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
N-[(1-benzyl-3,5-diethylpyrazol-4-yl)methyl]-2-chloroacetamide
CID 146094539
5-chloro-4-(chloromethyl)-3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole
CID 63279061
5-chloro-4-(chloromethyl)-1-[(3-chlorophenyl)methyl]-3-(methoxymethyl)pyrazole
CID 55172992
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]-N-methylethanamine;2,2-difluoroacetaldehyde
CID 142107311

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine (CID 79223129) is 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine is CCc1nn(Cc2cccc(Cl)c2)c(CC)c1CCNC.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is AHCQCYSKGYNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-16-15(9-10-19-3)17(5-2)21(20-16)12-13-7-6-8-14(18)11-13/h6-8,11,19H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 305.85 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79223129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).