N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide

C15H18N4O2S — CID 95747977

IUPACN,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide
SMILESCc1c(NC(=O)/C=C/c2cccs2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C15H18N4O2S/c1-10-13(14(17-19(10)4)15(21)18(2)3)16-12(20)8-7-11-6-5-9-22-11/h5-9H,1-4H3,(H,16,20)/b8-7+
InChIKeyQWGNRENTMPWDMP-BQYQJAHWSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds4

About N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide

N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide (PubChem CID 95747977) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide
PubChem CID95747977
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide
SMILESCc1c(NC(=O)/C=C/c2cccs2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C15H18N4O2S/c1-10-13(14(17-19(10)4)15(21)18(2)3)16-12(20)8-7-11-6-5-9-22-11/h5-9H,1-4H3,(H,16,20)/b8-7+
InChIKeyQWGNRENTMPWDMP-BQYQJAHWSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide (CID 95747977) is N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide is Cc1c(NC(=O)/C=C/c2cccs2)c(C(=O)N(C)C)nn1C.
What is the InChIKey of N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide?
The InChIKey is QWGNRENTMPWDMP-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-13(14(17-19(10)4)15(21)18(2)3)16-12(20)8-7-11-6-5-9-22-11/h5-9H,1-4H3,(H,16,20)/b8-7+.
What are the key properties of N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide?
N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 95747977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).