1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine

C14H19ClN4 — CID 90038122

IUPAC1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine
SMILESCN(C)CCC(c1cccc(Cl)c1)n1cc(N)cn1
InChIInChI=1S/C14H19ClN4/c1-18(2)7-6-14(19-10-13(16)9-17-19)11-4-3-5-12(15)8-11/h3-5,8-10,14H,6-7,16H2,1-2H3
InChIKeyQJYIJNPEHWOFGZ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.66
Rot. Bonds5

About 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine

1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine (PubChem CID 90038122) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine
PubChem CID90038122
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine
SMILESCN(C)CCC(c1cccc(Cl)c1)n1cc(N)cn1
InChIInChI=1S/C14H19ClN4/c1-18(2)7-6-14(19-10-13(16)9-17-19)11-4-3-5-12(15)8-11/h3-5,8-10,14H,6-7,16H2,1-2H3
InChIKeyQJYIJNPEHWOFGZ-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-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

3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
2-[5-[amino-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504
N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide
CID 143906363
ethyl 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrazole-4-carboxylate
CID 81498769
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine
CID 43148085
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine
CID 44540616
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
4-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethyl]aniline
CID 62979290
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine?
The IUPAC name of 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine (CID 90038122) is 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine is CN(C)CCC(c1cccc(Cl)c1)n1cc(N)cn1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine?
The InChIKey is QJYIJNPEHWOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-18(2)7-6-14(19-10-13(16)9-17-19)11-4-3-5-12(15)8-11/h3-5,8-10,14H,6-7,16H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine?
1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine has a molecular weight of 278.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine is sourced from PubChem (CID 90038122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).