1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide

C13H18N4OS — CID 100647431

IUPAC1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
SMILESCc1ncsc1NC(=O)c1cnn(C(C)(C)C)c1C
InChIInChI=1S/C13H18N4OS/c1-8-12(19-7-14-8)16-11(18)10-6-15-17(9(10)2)13(3,4)5/h6-7H,1-5H3,(H,16,18)
InChIKeyJEGJGOGWKDFKBY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.96
Rot. Bonds2

About 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide (PubChem CID 100647431) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
PubChem CID100647431
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
SMILESCc1ncsc1NC(=O)c1cnn(C(C)(C)C)c1C
InChIInChI=1S/C13H18N4OS/c1-8-12(19-7-14-8)16-11(18)10-6-15-17(9(10)2)13(3,4)5/h6-7H,1-5H3,(H,16,18)
InChIKeyJEGJGOGWKDFKBY-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375557
1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 112832463
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
CID 47037207
1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
CID 120654519
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432
1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46486951
[2-(1-tert-butyl-5-methylpyrazol-4-yl)-2-oxoethyl]phosphonic acid
CID 141201173
1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide
CID 136542586
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 119572405
1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 143899936

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide (CID 100647431) is 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide is Cc1ncsc1NC(=O)c1cnn(C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is JEGJGOGWKDFKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-12(19-7-14-8)16-11(18)10-6-15-17(9(10)2)13(3,4)5/h6-7H,1-5H3,(H,16,18).
What are the key properties of 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 100647431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).