N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide

C19H21N3OS — CID 2473799

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13-10-11-24-17(13)18(23)20-16-12-15(19(2,3)4)21-22(16)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,20,23)
InChIKeyLMEWIRZRGYYHTR-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.79
Rot. Bonds3

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide (PubChem CID 2473799) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
PubChem CID2473799
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13-10-11-24-17(13)18(23)20-16-12-15(19(2,3)4)21-22(16)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,20,23)
InChIKeyLMEWIRZRGYYHTR-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751
2-(thiophen-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939587
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methylsulfanylbenzamide
CID 156208585
Cambridge id 5583804
CID 1350714
N-[2-[[1-(2-cyanoethyl)-3-phenylpyrazol-5-yl]amino]phenyl]thiophene-2-carboxamide
CID 2997935
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 3235680
2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
CID 4116919
N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
CID 5070030
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42733092
3-tert-butyl-1-(4-chlorophenyl)-5-[(thiophen-2-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135756431
3-Methyl-1-(4-methylphenyl)-4-(thiophen-3-YL)-1H,4H,6H,7H,8H-pyrazolo[3,4-E][1,4]thiazepin-7-one
CID 135823711

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide (CID 2473799) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is LMEWIRZRGYYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-10-11-24-17(13)18(23)20-16-12-15(19(2,3)4)21-22(16)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2473799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).