2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

C16H22ClN3 — CID 79448466

IUPAC2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCCc1cc(CC(CNC)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C16H22ClN3/c1-4-13-10-14(20(3)19-13)9-12(11-18-2)15-7-5-6-8-16(15)17/h5-8,10,12,18H,4,9,11H2,1-3H3
InChIKeyCJMZEVUYGUXOFD-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.18
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (PubChem CID 79448466) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
PubChem CID79448466
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCCc1cc(CC(CNC)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C16H22ClN3/c1-4-13-10-14(20(3)19-13)9-12(11-18-2)15-7-5-6-8-16(15)17/h5-8,10,12,18H,4,9,11H2,1-3H3
InChIKeyCJMZEVUYGUXOFD-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79449278
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66048380
5-[3-bromo-2-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 79454162
1-(3-chloro-2-fluorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-2-amine
CID 82787681
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (CID 79448466) is 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is CCc1cc(CC(CNC)c2ccccc2Cl)n(C)n1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is CJMZEVUYGUXOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-13-10-14(20(3)19-13)9-12(11-18-2)15-7-5-6-8-16(15)17/h5-8,10,12,18H,4,9,11H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79448466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).