4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride

C18H27ClN4O — CID 119797176

IUPAC4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1.Cl
InChIInChI=1S/C18H26N4O.ClH/c1-13(2)16-12-17(20-18(23)6-5-11-19-4)22(21-16)15-9-7-14(3)8-10-15;/h7-10,12-13,19H,5-6,11H2,1-4H3,(H,20,23);1H
InChIKeyOBVOYDURYXHJOZ-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.66
Rot. Bonds7

About 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride

4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride (PubChem CID 119797176) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
PubChem CID119797176
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1.Cl
InChIInChI=1S/C18H26N4O.ClH/c1-13(2)16-12-17(20-18(23)6-5-11-19-4)22(21-16)15-9-7-14(3)8-10-15;/h7-10,12-13,19H,5-6,11H2,1-4H3,(H,20,23);1H
InChIKeyOBVOYDURYXHJOZ-UHFFFAOYSA-N
XLogP3.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.66
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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide
CID 119797189
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 43036802
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
CID 119797181
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
CID 122093816
3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide
CID 119320353

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride (CID 119797176) is 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride is CNCCCC(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride?
The InChIKey is OBVOYDURYXHJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.ClH/c1-13(2)16-12-17(20-18(23)6-5-11-19-4)22(21-16)15-9-7-14(3)8-10-15;/h7-10,12-13,19H,5-6,11H2,1-4H3,(H,20,23);1H.
What are the key properties of 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride?
4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 119797176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).