3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide

C13H16N4OS — CID 5343075

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccs1
InChIInChI=1S/C13H16N4OS/c1-9-12(10(2)16-15-9)5-6-13(18)17-14-8-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)/b14-8+
InChIKeyVODBTUMWVHMUGD-RIYZIHGNSA-N
MW276.36 g/mol
LogP2.17
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide (PubChem CID 5343075) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
PubChem CID5343075
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccs1
InChIInChI=1S/C13H16N4OS/c1-9-12(10(2)16-15-9)5-6-13(18)17-14-8-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)/b14-8+
InChIKeyVODBTUMWVHMUGD-RIYZIHGNSA-N
XLogP2.17
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
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'-(2-thienylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5720643
3-tert-butyl-N'-[(3-methyl-2-thienyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 5345393
N'-[(E)-2-thienylmethylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 5720647
N'-[(3-methyl-2-thienyl)methylene]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5400057
5-(propan-2-yl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 5782679
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(3-methyl-2-thienyl)methylene]propanohydrazide
CID 5395168
3-Isopropyl-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5399812
5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 57391884
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 60767575
3-Isopropyl-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
CID 44726053
3-methyl-5-(2-thienyl)-1H-pyrazole-4-carbohydrazide
CID 2743400

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide (CID 5343075) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide is Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccs1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
The InChIKey is VODBTUMWVHMUGD-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-12(10(2)16-15-9)5-6-13(18)17-14-8-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)/b14-8+.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide has a molecular weight of 276.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 5343075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).