N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine

C14H19ClN4 — CID 112669529

IUPACN-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN4/c1-3-12-10(9-19(2)18-12)14(8-16)17-13-7-5-4-6-11(13)15/h4-7,9,14,17H,3,8,16H2,1-2H3
InChIKeyLIURIDRZBCDPGO-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.75
Rot. Bonds5

About N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 112669529) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID112669529
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN4/c1-3-12-10(9-19(2)18-12)14(8-16)17-13-7-5-4-6-11(13)15/h4-7,9,14,17H,3,8,16H2,1-2H3
InChIKeyLIURIDRZBCDPGO-UHFFFAOYSA-N
XLogP2.75
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine 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

1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
CID 112669602
3-[[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 112669542
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616015
1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161042
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
N-(2-bromophenyl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83090822
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83090827

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 112669529) is N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine is CCc1nn(C)cc1C(CN)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is LIURIDRZBCDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-3-12-10(9-19(2)18-12)14(8-16)17-13-7-5-4-6-11(13)15/h4-7,9,14,17H,3,8,16H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 278.79 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 112669529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).