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

C16H19N5O2S — CID 11371384

IUPAC5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(N)=O
InChIInChI=1S/C16H19N5O2S/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)24-2/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyWZHKUUKNBFRHCJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.48
Rot. Bonds5

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

5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 11371384) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID11371384
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(N)=O
InChIInChI=1S/C16H19N5O2S/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)24-2/h3-4,7,10H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyWZHKUUKNBFRHCJ-UHFFFAOYSA-N
XLogP1.48
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide (CID 11371384) is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is WZHKUUKNBFRHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/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)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-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 11371384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).