2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine

C16H22ClN3 — CID 82872115

IUPAC2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccn(C)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-3-8-18-12-14(11-16-7-9-20(2)19-16)13-5-4-6-15(17)10-13/h4-7,9-10,14,18H,3,8,11-12H2,1-2H3
InChIKeyNPYAGCAQLQZQTL-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine

2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 82872115) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID82872115
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccn(C)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-3-8-18-12-14(11-16-7-9-20(2)19-16)13-5-4-6-15(17)10-13/h4-7,9-10,14,18H,3,8,11-12H2,1-2H3
InChIKeyNPYAGCAQLQZQTL-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443167
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 82872115) is 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNCC(Cc1ccn(C)n1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is NPYAGCAQLQZQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-8-18-12-14(11-16-7-9-20(2)19-16)13-5-4-6-15(17)10-13/h4-7,9-10,14,18H,3,8,11-12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 82872115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).