N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

C19H20N4O2S — CID 1350714

IUPACN,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1
InChIInChI=1S/C19H20N4O2S/c1-3-22(4-2)19(25)15-13-20-23(14-9-6-5-7-10-14)17(15)21-18(24)16-11-8-12-26-16/h5-13H,3-4H2,1-2H3,(H,21,24)
InChIKeyJLWJEBADFSWTRB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.67
Rot. Bonds6

About N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 1350714) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID1350714
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1
InChIInChI=1S/C19H20N4O2S/c1-3-22(4-2)19(25)15-13-20-23(14-9-6-5-7-10-14)17(15)21-18(24)16-11-8-12-26-16/h5-13H,3-4H2,1-2H3,(H,21,24)
InChIKeyJLWJEBADFSWTRB-UHFFFAOYSA-N
XLogP3.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (CID 1350714) is N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1.
What is the InChIKey of N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is JLWJEBADFSWTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-22(4-2)19(25)15-13-20-23(14-9-6-5-7-10-14)17(15)21-18(24)16-11-8-12-26-16/h5-13H,3-4H2,1-2H3,(H,21,24).
What are the key properties of N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 1350714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).