1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide

C17H20FN3O3 — CID 109416456

IUPAC1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(CC1CCCC1O)C(=O)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C17H20FN3O3/c1-20(9-11-3-2-4-14(11)22)17(24)16-15(23)10-21(19-16)13-7-5-12(18)6-8-13/h5-8,10-11,14,22-23H,2-4,9H2,1H3
InChIKeyRMMPREHGYMNBRA-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.95
Rot. Bonds4

About 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide

1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 109416456) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID109416456
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(CC1CCCC1O)C(=O)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C17H20FN3O3/c1-20(9-11-3-2-4-14(11)22)17(24)16-15(23)10-21(19-16)13-7-5-12(18)6-8-13/h5-8,10-11,14,22-23H,2-4,9H2,1H3
InChIKeyRMMPREHGYMNBRA-UHFFFAOYSA-N
XLogP1.95
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide (CID 109416456) is 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide is CN(CC1CCCC1O)C(=O)c1nn(-c2ccc(F)cc2)cc1O.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is RMMPREHGYMNBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-20(9-11-3-2-4-14(11)22)17(24)16-15(23)10-21(19-16)13-7-5-12(18)6-8-13/h5-8,10-11,14,22-23H,2-4,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 109416456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).