N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide

C7H10N4OS — CID 103117884

IUPACN-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(N)=S)n1
InChIInChI=1S/C7H10N4OS/c1-11-3-2-5(10-11)7(12)9-4-6(8)13/h2-3H,4H2,1H3,(H2,8,13)(H,9,12)
InChIKeyARALOAQNUYVCCJ-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.56
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103117884) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
PubChem CID103117884
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(N)=S)n1
InChIInChI=1S/C7H10N4OS/c1-11-3-2-5(10-11)7(12)9-4-6(8)13/h2-3H,4H2,1H3,(H2,8,13)(H,9,12)
InChIKeyARALOAQNUYVCCJ-UHFFFAOYSA-N
XLogP-0.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
1-methylpyrazole-3-carboxamide
CID 13464586
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
CID 103121644
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
N-(2-cyanoethyl)-1-methylpyrazole-3-carboxamide
CID 103117795
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 97465240
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 103117952
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide (CID 103117884) is N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCC(N)=S)n1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ARALOAQNUYVCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-11-3-2-5(10-11)7(12)9-4-6(8)13/h2-3H,4H2,1H3,(H2,8,13)(H,9,12).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 198.25 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103117884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).