2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride

C14H21Cl2N5O — CID 119946926

IUPAC2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
SMILESCN(C)CCn1ccc(NC(=O)c2ccccc2N)n1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-18(2)9-10-19-8-7-13(17-19)16-14(20)11-5-3-4-6-12(11)15;;/h3-8H,9-10,15H2,1-2H3,(H,16,17,20);2*1H
InChIKeySYHIQDXVIIZXAF-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride

2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride (PubChem CID 119946926) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
PubChem CID119946926
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC Name2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
SMILESCN(C)CCn1ccc(NC(=O)c2ccccc2N)n1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-18(2)9-10-19-8-7-13(17-19)16-14(20)11-5-3-4-6-12(11)15;;/h3-8H,9-10,15H2,1-2H3,(H,16,17,20);2*1H
InChIKeySYHIQDXVIIZXAF-UHFFFAOYSA-N
XLogP2.12
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride 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

2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167841166
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
CID 114251301
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166183392
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride (CID 119946926) is 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride is CN(C)CCn1ccc(NC(=O)c2ccccc2N)n1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride?
The InChIKey is SYHIQDXVIIZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-18(2)9-10-19-8-7-13(17-19)16-14(20)11-5-3-4-6-12(11)15;;/h3-8H,9-10,15H2,1-2H3,(H,16,17,20);2*1H.
What are the key properties of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride?
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119946926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).