N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine

C17H24ClN3 — CID 105085268

IUPACN-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cc(C)nn1CC
InChIInChI=1S/C17H24ClN3/c1-4-10-19-16(12-14-6-8-15(18)9-7-14)17-11-13(3)20-21(17)5-2/h6-9,11,16,19H,4-5,10,12H2,1-3H3
InChIKeyMPRLDONIRDRTBZ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 105085268) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID105085268
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cc(C)nn1CC
InChIInChI=1S/C17H24ClN3/c1-4-10-19-16(12-14-6-8-15(18)9-7-14)17-11-13(3)20-21(17)5-2/h6-9,11,16,19H,4-5,10,12H2,1-3H3
InChIKeyMPRLDONIRDRTBZ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113696
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114437
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031164
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 105190484
N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143126
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193
N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 102764061

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 105085268) is N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1cc(C)nn1CC.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is MPRLDONIRDRTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-10-19-16(12-14-6-8-15(18)9-7-14)17-11-13(3)20-21(17)5-2/h6-9,11,16,19H,4-5,10,12H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105085268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).