2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride

C12H17ClN4 — CID 43810580

IUPAC2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride
SMILESCN(C)c1ccc(Cn2nccc2N)cc1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16;/h3-8H,9,13H2,1-2H3;1H
InChIKeyMUAFWPLXGYWCOH-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.00
Rot. Bonds3

About 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride

2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride (PubChem CID 43810580) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride
PubChem CID43810580
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride
SMILESCN(C)c1ccc(Cn2nccc2N)cc1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16;/h3-8H,9,13H2,1-2H3;1H
InChIKeyMUAFWPLXGYWCOH-UHFFFAOYSA-N
XLogP2.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride 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 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride (CID 43810580) is 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride is CN(C)c1ccc(Cn2nccc2N)cc1.Cl.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is MUAFWPLXGYWCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.ClH/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16;/h3-8H,9,13H2,1-2H3;1H.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride?
2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 43810580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).