1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide

C16H18FN3O3 — CID 71860175

IUPAC1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCC2)n1
InChIInChI=1S/C16H18FN3O3/c1-10-7-11(17)3-4-12(10)20-8-13(21)14(19-20)15(22)18-9-16(23)5-2-6-16/h3-4,7-8,21,23H,2,5-6,9H2,1H3,(H,18,22)
InChIKeyUOOHJYAPJDRFPR-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.67
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide (PubChem CID 71860175) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide
PubChem CID71860175
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCC2)n1
InChIInChI=1S/C16H18FN3O3/c1-10-7-11(17)3-4-12(10)20-8-13(21)14(19-20)15(22)18-9-16(23)5-2-6-16/h3-4,7-8,21,23H,2,5-6,9H2,1H3,(H,18,22)
InChIKeyUOOHJYAPJDRFPR-UHFFFAOYSA-N
XLogP1.67
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide (CID 71860175) is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCC2)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide?
The InChIKey is UOOHJYAPJDRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-7-11(17)3-4-12(10)20-8-13(21)14(19-20)15(22)18-9-16(23)5-2-6-16/h3-4,7-8,21,23H,2,5-6,9H2,1H3,(H,18,22).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71860175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).