N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

C18H16F3N5O3 — CID 43070121

IUPACN'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H16F3N5O3/c1-10(2)15-12(16(27)24-25-17(28)13-4-3-7-29-13)9-23-26(15)14-6-5-11(8-22-14)18(19,20)21/h3-10H,1-2H3,(H,24,27)(H,25,28)
InChIKeyYRFRHCANDKVSGK-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.08
Rot. Bonds4

About N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (PubChem CID 43070121) has the molecular formula C18H16F3N5O3 and a molecular weight of 407.35 g/mol. Its IUPAC name is N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
PubChem CID43070121
Molecular FormulaC18H16F3N5O3
Molecular Weight407.35 g/mol
Exact Mass407.12
IUPAC NameN'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H16F3N5O3/c1-10(2)15-12(16(27)24-25-17(28)13-4-3-7-29-13)9-23-26(15)14-6-5-11(8-22-14)18(19,20)21/h3-10H,1-2H3,(H,24,27)(H,25,28)
InChIKeyYRFRHCANDKVSGK-UHFFFAOYSA-N
XLogP3.08
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The IUPAC name of N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (CID 43070121) is N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The InChIKey is YRFRHCANDKVSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3/c1-10(2)15-12(16(27)24-25-17(28)13-4-3-7-29-13)9-23-26(15)14-6-5-11(8-22-14)18(19,20)21/h3-10H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide has a molecular weight of 407.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-carbonyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 43070121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).