3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide

C15H18N4O — CID 8981777

IUPAC3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
SMILESCC(C)CC(=O)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H18N4O/c1-12(2)8-15(20)18-16-9-13-10-17-19(11-13)14-6-4-3-5-7-14/h3-7,9-12H,8H2,1-2H3,(H,18,20)/b16-9-
InChIKeyFOIMWJXXDCVWTK-SXGWCWSVSA-N
MW270.34 g/mol
LogP2.37
Rot. Bonds5

About 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide

3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide (PubChem CID 8981777) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
PubChem CID8981777
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
SMILESCC(C)CC(=O)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H18N4O/c1-12(2)8-15(20)18-16-9-13-10-17-19(11-13)14-6-4-3-5-7-14/h3-7,9-12H,8H2,1-2H3,(H,18,20)/b16-9-
InChIKeyFOIMWJXXDCVWTK-SXGWCWSVSA-N
XLogP2.37
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8979522
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8978718
1-(2-methoxyethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea
CID 8978981
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974541
N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
CID 4068272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide?
The IUPAC name of 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide (CID 8981777) is 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide.
What is the SMILES notation for 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide?
The canonical SMILES for 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide is CC(C)CC(=O)N/N=C\c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide?
The InChIKey is FOIMWJXXDCVWTK-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12(2)8-15(20)18-16-9-13-10-17-19(11-13)14-6-4-3-5-7-14/h3-7,9-12H,8H2,1-2H3,(H,18,20)/b16-9-.
What are the key properties of 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide?
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide has a molecular weight of 270.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide is sourced from PubChem (CID 8981777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).