4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide

C10H18N4O2S — CID 113493376

IUPAC4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)CCS(C)=O)c1N
InChIInChI=1S/C10H18N4O2S/c1-6(4-5-17(3)16)12-10(15)9-8(11)7(2)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyPOUQHDXKMXOQFF-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 113493376) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID113493376
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)CCS(C)=O)c1N
InChIInChI=1S/C10H18N4O2S/c1-6(4-5-17(3)16)12-10(15)9-8(11)7(2)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyPOUQHDXKMXOQFF-UHFFFAOYSA-N
XLogP0.19
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide (CID 113493376) is 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC(C)CCS(C)=O)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is POUQHDXKMXOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-6(4-5-17(3)16)12-10(15)9-8(11)7(2)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 113493376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).