1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide

C18H22FN3O4 — CID 100644712

IUPAC1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NC[C@H](CO)[C@H]2CCOC2)n1
InChIInChI=1S/C18H22FN3O4/c1-11-6-14(19)2-3-15(11)22-8-16(24)17(21-22)18(25)20-7-13(9-23)12-4-5-26-10-12/h2-3,6,8,12-13,23-24H,4-5,7,9-10H2,1H3,(H,20,25)/t12-,13+/m0/s1
InChIKeyZIYCZDWGYLEEGW-QWHCGFSZSA-N
MW363.39 g/mol
LogP1.40
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide (PubChem CID 100644712) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
PubChem CID100644712
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NC[C@H](CO)[C@H]2CCOC2)n1
InChIInChI=1S/C18H22FN3O4/c1-11-6-14(19)2-3-15(11)22-8-16(24)17(21-22)18(25)20-7-13(9-23)12-4-5-26-10-12/h2-3,6,8,12-13,23-24H,4-5,7,9-10H2,1H3,(H,20,25)/t12-,13+/m0/s1
InChIKeyZIYCZDWGYLEEGW-QWHCGFSZSA-N
XLogP1.40
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide (CID 100644712) is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NC[C@H](CO)[C@H]2CCOC2)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide?
The InChIKey is ZIYCZDWGYLEEGW-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-11-6-14(19)2-3-15(11)22-8-16(24)17(21-22)18(25)20-7-13(9-23)12-4-5-26-10-12/h2-3,6,8,12-13,23-24H,4-5,7,9-10H2,1H3,(H,20,25)/t12-,13+/m0/s1.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 100644712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).