N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide

C11H16FN3O2 — CID 126857055

IUPACN-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCOC2F)n(C)n1
InChIInChI=1S/C11H16FN3O2/c1-7-6-9(15(2)14-7)11(16)13-8-4-3-5-17-10(8)12/h6,8,10H,3-5H2,1-2H3,(H,13,16)
InChIKeyHVYVVJLLMXFMLP-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.93
Rot. Bonds2

About N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide

N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 126857055) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID126857055
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC NameN-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCOC2F)n(C)n1
InChIInChI=1S/C11H16FN3O2/c1-7-6-9(15(2)14-7)11(16)13-8-4-3-5-17-10(8)12/h6,8,10H,3-5H2,1-2H3,(H,13,16)
InChIKeyHVYVVJLLMXFMLP-UHFFFAOYSA-N
XLogP0.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide
CID 122276388
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 87024266
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91948762
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
cis-(1S,2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146109119

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide (CID 126857055) is N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCOC2F)n(C)n1.
What is the InChIKey of N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HVYVVJLLMXFMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-7-6-9(15(2)14-7)11(16)13-8-4-3-5-17-10(8)12/h6,8,10H,3-5H2,1-2H3,(H,13,16).
What are the key properties of N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide?
N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 241.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 126857055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).