3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide

C10H14N6O2S — CID 60809886

IUPAC3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC#N)CC#N)c(N)n1
InChIInChI=1S/C10H14N6O2S/c1-2-5-15-8-9(10(13)14-15)19(17,18)16(6-3-11)7-4-12/h8H,2,5-7H2,1H3,(H2,13,14)
InChIKeyDPJNPXHENXZFCB-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.09
Rot. Bonds6

About 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide

3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60809886) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60809886
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC#N)CC#N)c(N)n1
InChIInChI=1S/C10H14N6O2S/c1-2-5-15-8-9(10(13)14-15)19(17,18)16(6-3-11)7-4-12/h8H,2,5-7H2,1H3,(H2,13,14)
InChIKeyDPJNPXHENXZFCB-UHFFFAOYSA-N
XLogP-0.09
TPSA128.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
3-amino-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 137949482
N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide
CID 86799058
N-(cyanomethyl)-1-methyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 100680091
3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006605
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 55174165
3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809738
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809899
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809900
3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide (CID 60809886) is 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CC#N)CC#N)c(N)n1.
What is the InChIKey of 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is DPJNPXHENXZFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-2-5-15-8-9(10(13)14-15)19(17,18)16(6-3-11)7-4-12/h8H,2,5-7H2,1H3,(H2,13,14).
What are the key properties of 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60809886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).