N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride

C16H23ClN4O — CID 119704826

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-13-11-15(18-16(21)9-6-10-17-2)20(19-13)12-14-7-4-3-5-8-14;/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3,(H,18,21);1H
InChIKeyPBCRUGZJUWIBGL-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.60
Rot. Bonds7

About N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride

N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119704826) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119704826
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-13-11-15(18-16(21)9-6-10-17-2)20(19-13)12-14-7-4-3-5-8-14;/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3,(H,18,21);1H
InChIKeyPBCRUGZJUWIBGL-UHFFFAOYSA-N
XLogP2.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005414
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60553216
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2-nitroanilino)propanamide
CID 55550892
4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 119710915
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 55551404
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35537538

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride (CID 119704826) is N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(C)nn1Cc1ccccc1.Cl.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is PBCRUGZJUWIBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-13-11-15(18-16(21)9-6-10-17-2)20(19-13)12-14-7-4-3-5-8-14;/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride?
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119704826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).