3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide

C14H18N4OS — CID 5395168

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
SMILESCc1ccsc1/C=N\NC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C14H18N4OS/c1-9-6-7-20-13(9)8-15-18-14(19)5-4-12-10(2)16-17-11(12)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)/b15-8-
InChIKeyFQQMFUWJDFZQCX-NVNXTCNLSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide (PubChem CID 5395168) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
PubChem CID5395168
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
SMILESCc1ccsc1/C=N\NC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C14H18N4OS/c1-9-6-7-20-13(9)8-15-18-14(19)5-4-12-10(2)16-17-11(12)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)/b15-8-
InChIKeyFQQMFUWJDFZQCX-NVNXTCNLSA-N
XLogP2.48
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide (CID 5395168) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide is Cc1ccsc1/C=N\NC(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide?
The InChIKey is FQQMFUWJDFZQCX-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-6-7-20-13(9)8-15-18-14(19)5-4-12-10(2)16-17-11(12)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)/b15-8-.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.48, 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-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 5395168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).