N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine

C17H24ClN3 — CID 114647095

IUPACN-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1c(Cl)cnn1CCC
InChIInChI=1S/C17H24ClN3/c1-3-10-19-16(12-14-8-6-5-7-9-14)17-15(18)13-20-21(17)11-4-2/h5-9,13,16,19H,3-4,10-12H2,1-2H3
InChIKeyVDYJMRNJFZVKGL-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.23
Rot. Bonds8

About N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine

N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine (PubChem CID 114647095) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
PubChem CID114647095
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1c(Cl)cnn1CCC
InChIInChI=1S/C17H24ClN3/c1-3-10-19-16(12-14-8-6-5-7-9-14)17-15(18)13-20-21(17)11-4-2/h5-9,13,16,19H,3-4,10-12H2,1-2H3
InChIKeyVDYJMRNJFZVKGL-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647090
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
[1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211289
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 114653419
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105184165

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine (CID 114647095) is N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1c(Cl)cnn1CCC.
What is the InChIKey of N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is VDYJMRNJFZVKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-10-19-16(12-14-8-6-5-7-9-14)17-15(18)13-20-21(17)11-4-2/h5-9,13,16,19H,3-4,10-12H2,1-2H3.
What are the key properties of N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine?
N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 114647095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).