3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C14H19ClN4 — CID 43739861

IUPAC3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCc1n[nH]c(C)c1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H19ClN4/c1-9-11(10(2)18-17-9)8-16-13-7-5-6-12(15)14(13)19(3)4/h5-7,16H,8H2,1-4H3,(H,17,18)
InChIKeyUHFZNHGUIIVQMC-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43739861) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43739861
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCc1n[nH]c(C)c1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H19ClN4/c1-9-11(10(2)18-17-9)8-16-13-7-5-6-12(15)14(13)19(3)4/h5-7,16H,8H2,1-4H3,(H,17,18)
InChIKeyUHFZNHGUIIVQMC-UHFFFAOYSA-N
XLogP3.36
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43739861) is 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is Cc1n[nH]c(C)c1CNc1cccc(Cl)c1N(C)C.
What is the InChIKey of 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is UHFZNHGUIIVQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9-11(10(2)18-17-9)8-16-13-7-5-6-12(15)14(13)19(3)4/h5-7,16H,8H2,1-4H3,(H,17,18).
What are the key properties of 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 278.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43739861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).