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

C16H19N5O4S — CID 11153123

IUPAC5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(S(C)(=O)=O)c(C(N)=O)c1N
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(2,24)25/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyGIZZQOYCBNYPPO-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.16
Rot. Bonds5

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

5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide (PubChem CID 11153123) 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-methylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide
PubChem CID11153123
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(S(C)(=O)=O)c(C(N)=O)c1N
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(2,24)25/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyGIZZQOYCBNYPPO-UHFFFAOYSA-N
XLogP0.16
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide (CID 11153123) is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1-n1nc(S(C)(=O)=O)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide?
The InChIKey is GIZZQOYCBNYPPO-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(2,24)25/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-methylsulfonylpyrazole-4-carboxamide?
5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 11153123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).