4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide

C10H18N4OS — CID 66124598

IUPAC4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
SMILESCSCCCNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C10H18N4OS/c1-7-8(11)9(14(2)13-7)10(15)12-5-4-6-16-3/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyNSEBOCOVRWPQHM-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.79
Rot. Bonds5

About 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide (PubChem CID 66124598) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
PubChem CID66124598
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
SMILESCSCCCNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C10H18N4OS/c1-7-8(11)9(14(2)13-7)10(15)12-5-4-6-16-3/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyNSEBOCOVRWPQHM-UHFFFAOYSA-N
XLogP0.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide (CID 66124598) is 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide is CSCCCNC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
The InChIKey is NSEBOCOVRWPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-8(11)9(14(2)13-7)10(15)12-5-4-6-16-3/h4-6,11H2,1-3H3,(H,12,15).
What are the key properties of 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66124598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).