cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium

C10H9N5O2 — CID 53248733

IUPACcyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium
SMILESCc1c(/[N+]([O-])=N/C#N)c(-c2ccco2)nn1C
InChIInChI=1S/C10H9N5O2/c1-7-10(15(16)12-6-11)9(13-14(7)2)8-4-3-5-17-8/h3-5H,1-2H3/b15-12-
InChIKeyLWHNMIXRDRNSNI-QINSGFPZSA-N
MW231.22 g/mol
LogP2.06
Rot. Bonds2

About cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium

cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium (PubChem CID 53248733) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium.

Molecular Properties

Compound Namecyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium
PubChem CID53248733
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Namecyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium
SMILESCc1c(/[N+]([O-])=N/C#N)c(-c2ccco2)nn1C
InChIInChI=1S/C10H9N5O2/c1-7-10(15(16)12-6-11)9(13-14(7)2)8-4-3-5-17-8/h3-5H,1-2H3/b15-12-
InChIKeyLWHNMIXRDRNSNI-QINSGFPZSA-N
XLogP2.06
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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

2-[5-(Furan-2-yl)-3-methylpyrazol-1-yl]acetic acid
CID 3245759
5-(Furan-2-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155894714
5-(Furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole
CID 162663903
5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carbaldehyde
CID 18525801
3-(furan-2-yl)-1-methyl-1H-pyrazol-4-amine
CID 83216523
3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83816616
5-(Furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 24865870
5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 25137214
(5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methanamine
CID 28808604
N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)-5-methylisoxazole-3-carboxamide
CID 71797286
3-(Difluoromethyl)-1-ethyl-5-(furan-2-yl)pyrazole
CID 137956586
3-(Furan-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 66582985

Frequently Asked Questions

What is the IUPAC name of cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium?
The IUPAC name of cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium (CID 53248733) is cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium.
What is the SMILES notation for cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium?
The canonical SMILES for cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium is Cc1c(/[N+]([O-])=N/C#N)c(-c2ccco2)nn1C.
What is the InChIKey of cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium?
The InChIKey is LWHNMIXRDRNSNI-QINSGFPZSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-7-10(15(16)12-6-11)9(13-14(7)2)8-4-3-5-17-8/h3-5H,1-2H3/b15-12-.
What are the key properties of cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium?
cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium has a molecular weight of 231.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium is sourced from PubChem (CID 53248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).