N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine

C17H24ClN3 — CID 105099735

IUPACN-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1cc(CC)nn1CC
InChIInChI=1S/C17H24ClN3/c1-4-11-19-17(14-9-7-8-10-15(14)18)16-12-13(5-2)20-21(16)6-3/h7-10,12,17,19H,4-6,11H2,1-3H3
InChIKeyIAGLDJRMZRKDEP-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.21
Rot. Bonds7

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

N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105099735) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID105099735
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1cc(CC)nn1CC
InChIInChI=1S/C17H24ClN3/c1-4-11-19-17(14-9-7-8-10-15(14)18)16-12-13(5-2)20-21(16)6-3/h7-10,12,17,19H,4-6,11H2,1-3H3
InChIKeyIAGLDJRMZRKDEP-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 105119622
N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102842163
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105142319
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029
(1S)-1-(2-chlorophenyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 81378307
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 105149786
N-[(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 105173638

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine (CID 105099735) is N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1cc(CC)nn1CC.
What is the InChIKey of N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is IAGLDJRMZRKDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-11-19-17(14-9-7-8-10-15(14)18)16-12-13(5-2)20-21(16)6-3/h7-10,12,17,19H,4-6,11H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105099735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).