N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide

C16H18FN3O3 — CID 110016360

IUPACN-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCC(CO)(NC(=O)c1nn(-c2ccc(F)cc2)cc1O)C1CC1
InChIInChI=1S/C16H18FN3O3/c1-16(9-21,10-2-3-10)18-15(23)14-13(22)8-20(19-14)12-6-4-11(17)5-7-12/h4-8,10,21-22H,2-3,9H2,1H3,(H,18,23)
InChIKeyXZLAJBZVQFRTIX-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.61
Rot. Bonds5

About N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide

N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 110016360) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID110016360
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCC(CO)(NC(=O)c1nn(-c2ccc(F)cc2)cc1O)C1CC1
InChIInChI=1S/C16H18FN3O3/c1-16(9-21,10-2-3-10)18-15(23)14-13(22)8-20(19-14)12-6-4-11(17)5-7-12/h4-8,10,21-22H,2-3,9H2,1H3,(H,18,23)
InChIKeyXZLAJBZVQFRTIX-UHFFFAOYSA-N
XLogP1.61
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide (CID 110016360) is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide is CC(CO)(NC(=O)c1nn(-c2ccc(F)cc2)cc1O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is XZLAJBZVQFRTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-16(9-21,10-2-3-10)18-15(23)14-13(22)8-20(19-14)12-6-4-11(17)5-7-12/h4-8,10,21-22H,2-3,9H2,1H3,(H,18,23).
What are the key properties of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 110016360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).