N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

C18H16F3N5O3 — CID 31303489

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c(C)o1
InChIInChI=1S/C18H16F3N5O3/c1-9-6-13(11(3)29-9)16(27)24-25-17(28)14-8-23-26(10(14)2)15-5-4-12(7-22-15)18(19,20)21/h4-8H,1-3H3,(H,24,27)(H,25,28)
InChIKeyREPUZIOPLRCGAZ-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.88
Rot. Bonds3

About N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (PubChem CID 31303489) has the molecular formula C18H16F3N5O3 and a molecular weight of 407.35 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
PubChem CID31303489
Molecular FormulaC18H16F3N5O3
Molecular Weight407.35 g/mol
Exact Mass407.12
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c(C)o1
InChIInChI=1S/C18H16F3N5O3/c1-9-6-13(11(3)29-9)16(27)24-25-17(28)14-8-23-26(10(14)2)15-5-4-12(7-22-15)18(19,20)21/h4-8H,1-3H3,(H,24,27)(H,25,28)
InChIKeyREPUZIOPLRCGAZ-UHFFFAOYSA-N
XLogP2.88
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 31043842
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CID 32318397
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CID 121022504
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CID 137966571
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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (CID 31303489) is N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The InChIKey is REPUZIOPLRCGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3/c1-9-6-13(11(3)29-9)16(27)24-25-17(28)14-8-23-26(10(14)2)15-5-4-12(7-22-15)18(19,20)21/h4-8H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide has a molecular weight of 407.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 31303489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).