3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide

C9H16N4OS — CID 63958587

IUPAC3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
SMILESCSCCCNC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C9H16N4OS/c1-6-7(8(10)13-12-6)9(14)11-4-3-5-15-2/h3-5H2,1-2H3,(H,11,14)(H3,10,12,13)
InChIKeyYMYRYHDKCNENMY-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 63958587) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID63958587
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
SMILESCSCCCNC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C9H16N4OS/c1-6-7(8(10)13-12-6)9(14)11-4-3-5-15-2/h3-5H2,1-2H3,(H,11,14)(H3,10,12,13)
InChIKeyYMYRYHDKCNENMY-UHFFFAOYSA-N
XLogP0.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106240270
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 83023624
3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 55081557
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 66124598
3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60855101
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
CID 115564788
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 64643635
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide (CID 63958587) is 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide is CSCCCNC(=O)c1c(N)n[nH]c1C.
What is the InChIKey of 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YMYRYHDKCNENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6-7(8(10)13-12-6)9(14)11-4-3-5-15-2/h3-5H2,1-2H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63958587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).