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

C17H19N5OS — CID 154747614

IUPACN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1
InChIInChI=1S/C17H19N5OS/c1-11-6-9-24-14(11)15(23)20-13-10-12(17(2,3)4)21-22(13)16-18-7-5-8-19-16/h5-10H,1-4H3,(H,20,23)
InChIKeyHOLXXVRJIFTRLC-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.58
Rot. Bonds3

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

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide (PubChem CID 154747614) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
PubChem CID154747614
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1
InChIInChI=1S/C17H19N5OS/c1-11-6-9-24-14(11)15(23)20-13-10-12(17(2,3)4)21-22(13)16-18-7-5-8-19-16/h5-10H,1-4H3,(H,20,23)
InChIKeyHOLXXVRJIFTRLC-UHFFFAOYSA-N
XLogP3.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 56570632
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 56573549
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56534371
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 56534380
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56573611
(Z)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56570299
(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 98216077
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 56531341
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 56573638
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 56570330
(E)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 56573444
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 47148561

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide (CID 154747614) is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1.
What is the InChIKey of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is HOLXXVRJIFTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-6-9-24-14(11)15(23)20-13-10-12(17(2,3)4)21-22(13)16-18-7-5-8-19-16/h5-10H,1-4H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 154747614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).