N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

C9H12FN3O3 — CID 154847148

IUPACN-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)N[C@@H]2COC[C@@H]2F)cc1=O
InChIInChI=1S/C9H12FN3O3/c1-13-8(14)2-6(12-13)9(15)11-7-4-16-3-5(7)10/h2,5,7,12H,3-4H2,1H3,(H,11,15)/t5-,7+/m0/s1
InChIKeyLGYKLBDRQAQKFY-CAHLUQPWSA-N
MW229.21 g/mol
LogP-0.82
Rot. Bonds2

About N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 154847148) has the molecular formula C9H12FN3O3 and a molecular weight of 229.21 g/mol. Its IUPAC name is N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID154847148
Molecular FormulaC9H12FN3O3
Molecular Weight229.21 g/mol
Exact Mass229.09
IUPAC NameN-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)N[C@@H]2COC[C@@H]2F)cc1=O
InChIInChI=1S/C9H12FN3O3/c1-13-8(14)2-6(12-13)9(15)11-7-4-16-3-5(7)10/h2,5,7,12H,3-4H2,1H3,(H,11,15)/t5-,7+/m0/s1
InChIKeyLGYKLBDRQAQKFY-CAHLUQPWSA-N
XLogP-0.82
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 154847148) is N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is Cn1[nH]c(C(=O)N[C@@H]2COC[C@@H]2F)cc1=O.
What is the InChIKey of N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is LGYKLBDRQAQKFY-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H12FN3O3/c1-13-8(14)2-6(12-13)9(15)11-7-4-16-3-5(7)10/h2,5,7,12H,3-4H2,1H3,(H,11,15)/t5-,7+/m0/s1.
What are the key properties of N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 229.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154847148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).