N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine

C16H26ClN3 — CID 114660901

IUPACN-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1c(Cl)cnn1CC
InChIInChI=1S/C16H26ClN3/c1-3-10-18-15(11-13-8-6-5-7-9-13)16-14(17)12-19-20(16)4-2/h8,12,15,18H,3-7,9-11H2,1-2H3
InChIKeyPBGKWBDKSUESGA-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.49
Rot. Bonds7

About N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine

N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine (PubChem CID 114660901) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
PubChem CID114660901
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1c(Cl)cnn1CC
InChIInChI=1S/C16H26ClN3/c1-3-10-18-15(11-13-8-6-5-7-9-13)16-14(17)12-19-20(16)4-2/h8,12,15,18H,3-7,9-11H2,1-2H3
InChIKeyPBGKWBDKSUESGA-UHFFFAOYSA-N
XLogP4.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]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-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660904
1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 105040614
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114660885
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653517
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
1-(4-chloro-1-ethylpyrazol-5-yl)-3-propoxy-N-propylpropan-1-amine
CID 105183176
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxy-N-propylbutan-1-amine
CID 114660418
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647095

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine (CID 114660901) is N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)c1c(Cl)cnn1CC.
What is the InChIKey of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The InChIKey is PBGKWBDKSUESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-10-18-15(11-13-8-6-5-7-9-13)16-14(17)12-19-20(16)4-2/h8,12,15,18H,3-7,9-11H2,1-2H3.
What are the key properties of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 4.49, 7 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-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114660901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).