1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid

C18H20N4O4 — CID 154743231

IUPAC1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N4O4/c1-11-15(18(25)26)9-19-22(11)14-7-3-12(4-8-14)17(24)21(2)10-16(23)20-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,20,23)(H,25,26)
InChIKeyWYMGTNXNHMJJCY-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.23
Rot. Bonds6

About 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid

1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid (PubChem CID 154743231) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
PubChem CID154743231
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N4O4/c1-11-15(18(25)26)9-19-22(11)14-7-3-12(4-8-14)17(24)21(2)10-16(23)20-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,20,23)(H,25,26)
InChIKeyWYMGTNXNHMJJCY-UHFFFAOYSA-N
XLogP1.23
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid with MolForge

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-5-ethyl-N-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78851978
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
5-methyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 131963294
ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31972366
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
CID 119182697
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
1-[4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 119186667
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
1-[4-[[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 125149906
5-methyl-1-[4-[(4-methyloxan-4-yl)carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167884174

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid (CID 154743231) is 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The InChIKey is WYMGTNXNHMJJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-15(18(25)26)9-19-22(11)14-7-3-12(4-8-14)17(24)21(2)10-16(23)20-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,20,23)(H,25,26).
What are the key properties of 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 154743231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).