5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide

C16H19N5O4S — CID 58088979

IUPAC5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide
SMILESCOOSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(N)=O
InChIInChI=1S/C16H19N5O4S/c1-8-3-4-9(15(23)19-10-5-6-10)7-11(8)21-13(17)12(14(18)22)16(20-21)26-25-24-2/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyUYYYIYIKEYMHOZ-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.34
Rot. Bonds7

About 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide

5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide (PubChem CID 58088979) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide
PubChem CID58088979
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide
SMILESCOOSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(N)=O
InChIInChI=1S/C16H19N5O4S/c1-8-3-4-9(15(23)19-10-5-6-10)7-11(8)21-13(17)12(14(18)22)16(20-21)26-25-24-2/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyUYYYIYIKEYMHOZ-UHFFFAOYSA-N
XLogP1.34
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-4-benzoyl-3-methylsulfonylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
CID 11385092
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
3-[5-amino-4-(3-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid
CID 11273132
3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 67014695
5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate
CID 67319534
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
bis(3-(5-amino-4-benzoylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide);3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzoic acid;cyclopropanamine
CID 157110865
[5-amino-1-[5-(1-aminoethenyl)-2-methylphenyl]-3-methylsulfanylpyrazol-4-yl]-phenylmethanone
CID 163629506
[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
3-[5-amino-4-(1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313385

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide (CID 58088979) is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide is COOSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide?
The InChIKey is UYYYIYIKEYMHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-8-3-4-9(15(23)19-10-5-6-10)7-11(8)21-13(17)12(14(18)22)16(20-21)26-25-24-2/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide?
5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 58088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).