4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide

C15H11N5O2 — CID 45117748

IUPAC4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide
SMILESN#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C15H11N5O2/c16-9-11-13(15(21)18-17)19-20(10-5-2-1-3-6-10)14(11)12-7-4-8-22-12/h1-8H,17H2,(H,18,21)
InChIKeyISHJKFVUENJXIY-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.61
Rot. Bonds3

About 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide

4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide (PubChem CID 45117748) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide
PubChem CID45117748
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide
SMILESN#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C15H11N5O2/c16-9-11-13(15(21)18-17)19-20(10-5-2-1-3-6-10)14(11)12-7-4-8-22-12/h1-8H,17H2,(H,18,21)
InChIKeyISHJKFVUENJXIY-UHFFFAOYSA-N
XLogP1.61
TPSA109.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbonyl]amino]-3-phenylthiourea
CID 45117738
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
CID 555892
1-(4-chlorophenyl)-5-cyano-6-oxo-4-(2-phenylethenyl)pyridazine-3-carbohydrazide
CID 4284275
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
4-cyano-5-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)-1-phenylpyrazole-3-carboxylic acid
CID 163963108
4-cyano-N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-diphenylpyrazole-3-carboxamide
CID 46895660
1-(3-cyanophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 141001767
N-[(E)-(4-bromo-3-phenyl-1,3-thiazol-2-ylidene)amino]-4-cyano-1,5-diphenylpyrazole-3-carboxamide
CID 46927959
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92970259
4-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 139232353

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide (CID 45117748) is 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide is N#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is ISHJKFVUENJXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c16-9-11-13(15(21)18-17)19-20(10-5-2-1-3-6-10)14(11)12-7-4-8-22-12/h1-8H,17H2,(H,18,21).
What are the key properties of 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide?
4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 293.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(furan-2-yl)-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 45117748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).