5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride

C19H29ClN4O — CID 120625352

IUPAC5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-12-8-9-13(20)10-14(12)17(24)21-16-11-15(18(2,3)4)22-23(16)19(5,6)7;/h8-11H,20H2,1-7H3,(H,21,24);1H
InChIKeyQZPFKRZPKIBOPK-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.50
Rot. Bonds2

About 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride

5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride (PubChem CID 120625352) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride
PubChem CID120625352
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-12-8-9-13(20)10-14(12)17(24)21-16-11-15(18(2,3)4)22-23(16)19(5,6)7;/h8-11H,20H2,1-7H3,(H,21,24);1H
InChIKeyQZPFKRZPKIBOPK-UHFFFAOYSA-N
XLogP4.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 56800503
3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
CID 120609710
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
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5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
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CID 61291913
5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052737
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride (CID 120625352) is 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.Cl.
What is the InChIKey of 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride?
The InChIKey is QZPFKRZPKIBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.ClH/c1-12-8-9-13(20)10-14(12)17(24)21-16-11-15(18(2,3)4)22-23(16)19(5,6)7;/h8-11H,20H2,1-7H3,(H,21,24);1H.
What are the key properties of 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride?
5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120625352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).