3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride

C17H25ClN4O — CID 120611017

IUPAC3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
SMILESCC(C)(C)Cc1cc(NC(=O)CCc2ccccc2N)n[nH]1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-17(2,3)11-13-10-15(21-20-13)19-16(22)9-8-12-6-4-5-7-14(12)18;/h4-7,10H,8-9,11,18H2,1-3H3,(H2,19,20,21,22);1H
InChIKeyHNWOQVLAYAPMTA-UHFFFAOYSA-N
MW336.87 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride (PubChem CID 120611017) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
PubChem CID120611017
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
SMILESCC(C)(C)Cc1cc(NC(=O)CCc2ccccc2N)n[nH]1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-17(2,3)11-13-10-15(21-20-13)19-16(22)9-8-12-6-4-5-7-14(12)18;/h4-7,10H,8-9,11,18H2,1-3H3,(H2,19,20,21,22);1H
InChIKeyHNWOQVLAYAPMTA-UHFFFAOYSA-N
XLogP3.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
CID 120609710
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide
CID 119329402
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167770709
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride
CID 120609255
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride (CID 120611017) is 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride is CC(C)(C)Cc1cc(NC(=O)CCc2ccccc2N)n[nH]1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
The InChIKey is HNWOQVLAYAPMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-17(2,3)11-13-10-15(21-20-13)19-16(22)9-8-12-6-4-5-7-14(12)18;/h4-7,10H,8-9,11,18H2,1-3H3,(H2,19,20,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 120611017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).