1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide

C13H18F2N4O3 — CID 91765875

IUPAC1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccn(C(F)F)n1
InChIInChI=1S/C13H18F2N4O3/c14-13(15)19-2-1-9(17-19)12(20)16-10-7-22-8-11(10)18-3-5-21-6-4-18/h1-2,10-11,13H,3-8H2,(H,16,20)/t10-,11-/m0/s1
InChIKeyGWJAGVGUJROJOH-QWRGUYRKSA-N
MW316.31 g/mol
LogP0.11
Rot. Bonds4

About 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide (PubChem CID 91765875) has the molecular formula C13H18F2N4O3 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide
PubChem CID91765875
Molecular FormulaC13H18F2N4O3
Molecular Weight316.31 g/mol
Exact Mass316.13
IUPAC Name1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccn(C(F)F)n1
InChIInChI=1S/C13H18F2N4O3/c14-13(15)19-2-1-9(17-19)12(20)16-10-7-22-8-11(10)18-3-5-21-6-4-18/h1-2,10-11,13H,3-8H2,(H,16,20)/t10-,11-/m0/s1
InChIKeyGWJAGVGUJROJOH-QWRGUYRKSA-N
XLogP0.11
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide (CID 91765875) is 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide?
The InChIKey is GWJAGVGUJROJOH-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18F2N4O3/c14-13(15)19-2-1-9(17-19)12(20)16-10-7-22-8-11(10)18-3-5-21-6-4-18/h1-2,10-11,13H,3-8H2,(H,16,20)/t10-,11-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91765875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).