1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

C18H20N4O — CID 137375557

IUPAC1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1C(C)(C)C
InChIInChI=1S/C18H20N4O/c1-12-14(11-19-22(12)18(2,3)4)17(23)21-16-10-9-13-7-5-6-8-15(13)20-16/h5-11H,1-4H3,(H,20,21,23)
InChIKeyJCMZBYFHDFTRBL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.75
Rot. Bonds2

About 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375557) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375557
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1C(C)(C)C
InChIInChI=1S/C18H20N4O/c1-12-14(11-19-22(12)18(2,3)4)17(23)21-16-10-9-13-7-5-6-8-15(13)20-16/h5-11H,1-4H3,(H,20,21,23)
InChIKeyJCMZBYFHDFTRBL-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
1-tert-butyl-3-methyl-6-propan-2-yl-N-quinolin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756234
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid
CID 2812549
2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
CID 54185364
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 112832463
2-amino-N-quinolin-2-ylacetamide
CID 54505370

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375557) is 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is JCMZBYFHDFTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-14(11-19-22(12)18(2,3)4)17(23)21-16-10-9-13-7-5-6-8-15(13)20-16/h5-11H,1-4H3,(H,20,21,23).
What are the key properties of 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).