3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride

C20H31ClN4O — CID 120609710

IUPAC3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)CCc2ccccc2N)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-19(2,3)16-13-17(24(23-16)20(4,5)6)22-18(25)12-11-14-9-7-8-10-15(14)21;/h7-10,13H,11-12,21H2,1-6H3,(H,22,25);1H
InChIKeyJCEZZYXYZWPQSZ-UHFFFAOYSA-N
MW378.95 g/mol
LogP4.51
Rot. Bonds4

About 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride (PubChem CID 120609710) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
PubChem CID120609710
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC Name3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)CCc2ccccc2N)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-19(2,3)16-13-17(24(23-16)20(4,5)6)22-18(25)12-11-14-9-7-8-10-15(14)21;/h7-10,13H,11-12,21H2,1-6H3,(H,22,25);1H
InChIKeyJCEZZYXYZWPQSZ-UHFFFAOYSA-N
XLogP4.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride 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

3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
CID 120611017
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 120611478
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119747423
3-(2-aminophenyl)-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide;hydrochloride
CID 120610897
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869
5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride
CID 120625352
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride (CID 120609710) is 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride is CC(C)(C)c1cc(NC(=O)CCc2ccccc2N)n(C(C)(C)C)n1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride?
The InChIKey is JCEZZYXYZWPQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.ClH/c1-19(2,3)16-13-17(24(23-16)20(4,5)6)22-18(25)12-11-14-9-7-8-10-15(14)21;/h7-10,13H,11-12,21H2,1-6H3,(H,22,25);1H.
What are the key properties of 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 120609710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).