(Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium

C10H11N5O2S — CID 54585788

IUPAC(Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
SMILESCc1c(/[N+]([O-])=N/C(N)=O)c(-c2cccs2)nn1C
InChIInChI=1S/C10H11N5O2S/c1-6-9(15(17)13-10(11)16)8(12-14(6)2)7-4-3-5-18-7/h3-5H,1-2H3,(H2,11,16)/b15-13-
InChIKeyIOPDUMRQJDYZNU-SQFISAMPSA-N
MW265.30 g/mol
LogP2.13
Rot. Bonds2

About (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium

(Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium (PubChem CID 54585788) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium.

Molecular Properties

Compound Name(Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
PubChem CID54585788
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name(Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
SMILESCc1c(/[N+]([O-])=N/C(N)=O)c(-c2cccs2)nn1C
InChIInChI=1S/C10H11N5O2S/c1-6-9(15(17)13-10(11)16)8(12-14(6)2)7-4-3-5-18-7/h3-5H,1-2H3,(H2,11,16)/b15-13-
InChIKeyIOPDUMRQJDYZNU-SQFISAMPSA-N
XLogP2.13
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162644500
1-Methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 162673476
Cyanoimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
CID 53248732
Cyanoimino-(1,3-dimethyl-5-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
CID 53248758
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 749119
5-Amino-4-nitroso-1-methyl-3-(2-thienyl)-pyrazole
CID 15731546
2-(5-methyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethan-1-amine
CID 83639047
Carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
CID 76154073
4,5-Diamino-1-methyl-3-(2-thienyl)pyrazole
CID 15731550
1,5-Dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
1,3-Dimethyl-5-(2-thienyl)-1H-pyrazole
CID 66685591

Frequently Asked Questions

What is the IUPAC name of (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium?
The IUPAC name of (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium (CID 54585788) is (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium.
What is the SMILES notation for (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium?
The canonical SMILES for (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium is Cc1c(/[N+]([O-])=N/C(N)=O)c(-c2cccs2)nn1C.
What is the InChIKey of (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium?
The InChIKey is IOPDUMRQJDYZNU-SQFISAMPSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-6-9(15(17)13-10(11)16)8(12-14(6)2)7-4-3-5-18-7/h3-5H,1-2H3,(H2,11,16)/b15-13-.
What are the key properties of (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium?
(Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium has a molecular weight of 265.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-carbamoylimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium is sourced from PubChem (CID 54585788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).