5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide

C10H14N8S — CID 55243298

IUPAC5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1nnnn1C1CC1
InChIInChI=1S/C10H14N8S/c1-5-7(8(11)12)9(17(2)14-5)19-10-13-15-16-18(10)6-3-4-6/h6H,3-4H2,1-2H3,(H3,11,12)
InChIKeyKEESPPWCJVCVAU-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.49
Rot. Bonds4

About 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide

5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55243298) has the molecular formula C10H14N8S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55243298
Molecular FormulaC10H14N8S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1nnnn1C1CC1
InChIInChI=1S/C10H14N8S/c1-5-7(8(11)12)9(17(2)14-5)19-10-13-15-16-18(10)6-3-4-6/h6H,3-4H2,1-2H3,(H3,11,12)
InChIKeyKEESPPWCJVCVAU-UHFFFAOYSA-N
XLogP0.49
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide (CID 55243298) is 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1Sc1nnnn1C1CC1.
What is the InChIKey of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is KEESPPWCJVCVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8S/c1-5-7(8(11)12)9(17(2)14-5)19-10-13-15-16-18(10)6-3-4-6/h6H,3-4H2,1-2H3,(H3,11,12).
What are the key properties of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide?
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 278.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55243298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).