N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C14H17N3O2 — CID 110600651

IUPACN-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C14H17N3O2/c1-8(2)10-6-4-5-9(3)13(10)15-14(19)11-7-12(18)17-16-11/h4-8H,1-3H3,(H,15,19)(H2,16,17,18)
InChIKeyXDBYNAQLZLRNTK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600651) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600651
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C14H17N3O2/c1-8(2)10-6-4-5-9(3)13(10)15-14(19)11-7-12(18)17-16-11/h4-8H,1-3H3,(H,15,19)(H2,16,17,18)
InChIKeyXDBYNAQLZLRNTK-UHFFFAOYSA-N
XLogP2.39
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 112789086
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789
N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020649
2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110681046
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 50945551
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 18084160

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 110600651) is N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is XDBYNAQLZLRNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8(2)10-6-4-5-9(3)13(10)15-14(19)11-7-12(18)17-16-11/h4-8H,1-3H3,(H,15,19)(H2,16,17,18).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).