4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide

C10H14N4OS — CID 106425236

IUPAC4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
SMILESC#CCSCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C10H14N4OS/c1-3-5-16-6-4-12-10(15)9-8(11)7-14(2)13-9/h1,7H,4-6,11H2,2H3,(H,12,15)
InChIKeyVODHIWVDXMSWRM-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.10
Rot. Bonds5

About 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide (PubChem CID 106425236) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
PubChem CID106425236
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
SMILESC#CCSCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C10H14N4OS/c1-3-5-16-6-4-12-10(15)9-8(11)7-14(2)13-9/h1,7H,4-6,11H2,2H3,(H,12,15)
InChIKeyVODHIWVDXMSWRM-UHFFFAOYSA-N
XLogP0.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
4-amino-1-ethyl-3-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-5-carboxamide
CID 114187167
4-amino-1-methyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19620402
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide (CID 106425236) is 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide is C#CCSCCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide?
The InChIKey is VODHIWVDXMSWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-5-16-6-4-12-10(15)9-8(11)7-14(2)13-9/h1,7H,4-6,11H2,2H3,(H,12,15).
What are the key properties of 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 106425236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).