1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide

C10H14N6S — CID 63758247

IUPAC1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide
SMILESCc1nn(C)c(Nc2cnn(C)c2)c1C(N)=S
InChIInChI=1S/C10H14N6S/c1-6-8(9(11)17)10(16(3)14-6)13-7-4-12-15(2)5-7/h4-5,13H,1-3H3,(H2,11,17)
InChIKeyWCPWJICGMVTGRE-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.84
Rot. Bonds3

About 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide

1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide (PubChem CID 63758247) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide
PubChem CID63758247
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide
SMILESCc1nn(C)c(Nc2cnn(C)c2)c1C(N)=S
InChIInChI=1S/C10H14N6S/c1-6-8(9(11)17)10(16(3)14-6)13-7-4-12-15(2)5-7/h4-5,13H,1-3H3,(H2,11,17)
InChIKeyWCPWJICGMVTGRE-UHFFFAOYSA-N
XLogP0.84
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 141861728
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CID 63758640
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CID 64175015
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CID 64178259
CID 64178259
CID 66012292
CID 66012292
CID 66024394
CID 66024394
CID 66028648
CID 66028648
CID 113738669
CID 113738669
CID 122166683
CID 122166683
CID 122166891
CID 122166891
CID 122167153
CID 122167153

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide?
The IUPAC name of 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide (CID 63758247) is 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide.
What is the SMILES notation for 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide?
The canonical SMILES for 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide is Cc1nn(C)c(Nc2cnn(C)c2)c1C(N)=S.
What is the InChIKey of 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide?
The InChIKey is WCPWJICGMVTGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-6-8(9(11)17)10(16(3)14-6)13-7-4-12-15(2)5-7/h4-5,13H,1-3H3,(H2,11,17).
What are the key properties of 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide?
1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide has a molecular weight of 250.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pyrazole-4-carbothioamide is sourced from PubChem (CID 63758247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).