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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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).