N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide

C9H12FN3O2 — CID 138988786

IUPACN-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2COC[C@H]2F)cn1
InChIInChI=1S/C9H12FN3O2/c1-13-3-6(2-11-13)9(14)12-8-5-15-4-7(8)10/h2-3,7-8H,4-5H2,1H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyCKRWFHMZHOOOSM-HTQZYQBOSA-N
MW213.21 g/mol
LogP-0.11
Rot. Bonds2

About N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide

N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 138988786) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID138988786
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC NameN-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2COC[C@H]2F)cn1
InChIInChI=1S/C9H12FN3O2/c1-13-3-6(2-11-13)9(14)12-8-5-15-4-7(8)10/h2-3,7-8H,4-5H2,1H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyCKRWFHMZHOOOSM-HTQZYQBOSA-N
XLogP-0.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide (CID 138988786) is N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2COC[C@H]2F)cn1.
What is the InChIKey of N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CKRWFHMZHOOOSM-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-13-3-6(2-11-13)9(14)12-8-5-15-4-7(8)10/h2-3,7-8H,4-5H2,1H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide?
N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 213.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-fluorooxolan-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138988786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).