4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine

C11H13ClN4 — CID 106217068

IUPAC4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N)c1cn[nH]c1
InChIInChI=1S/C11H13ClN4/c1-7(8-5-14-15-6-8)16-11-4-9(12)2-3-10(11)13/h2-7,16H,13H2,1H3,(H,14,15)
InChIKeyRLQXLTBECXXXCC-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.82
Rot. Bonds3

About 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine

4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine (PubChem CID 106217068) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
PubChem CID106217068
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N)c1cn[nH]c1
InChIInChI=1S/C11H13ClN4/c1-7(8-5-14-15-6-8)16-11-4-9(12)2-3-10(11)13/h2-7,16H,13H2,1H3,(H,14,15)
InChIKeyRLQXLTBECXXXCC-UHFFFAOYSA-N
XLogP2.82
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-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

4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
4-(difluoromethoxy)-5-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217128
1-N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106217098
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
4-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106217097
3-methoxy-1-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217181
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106214076
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 115468753

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine (CID 106217068) is 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine is CC(Nc1cc(Cl)ccc1N)c1cn[nH]c1.
What is the InChIKey of 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine?
The InChIKey is RLQXLTBECXXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7(8-5-14-15-6-8)16-11-4-9(12)2-3-10(11)13/h2-7,16H,13H2,1H3,(H,14,15).
What are the key properties of 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine?
4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine has a molecular weight of 236.71 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106217068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).