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

C17H20FN3O2 — CID 109400380

IUPAC1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCN(CC1CCCC1O)C(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-20(10-12-5-4-8-16(12)22)17(23)13-9-19-21(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,16,22H,4-5,8,10H2,1H3
InChIKeyLJWKTHPVRIVQLP-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.24
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 109400380) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
PubChem CID109400380
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCN(CC1CCCC1O)C(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-20(10-12-5-4-8-16(12)22)17(23)13-9-19-21(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,16,22H,4-5,8,10H2,1H3
InChIKeyLJWKTHPVRIVQLP-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide (CID 109400380) is 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide is CN(CC1CCCC1O)C(=O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is LJWKTHPVRIVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20(10-12-5-4-8-16(12)22)17(23)13-9-19-21(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,16,22H,4-5,8,10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 109400380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).