2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide

C18H22FN3O2 — CID 109400116

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1CCCC1O)C(=O)Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O2/c1-21(12-13-3-2-4-17(13)23)18(24)11-15-9-10-22(20-15)16-7-5-14(19)6-8-16/h5-10,13,17,23H,2-4,11-12H2,1H3
InChIKeySAIFMWWURIPFNE-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.17
Rot. Bonds5

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 109400116) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID109400116
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1CCCC1O)C(=O)Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O2/c1-21(12-13-3-2-4-17(13)23)18(24)11-15-9-10-22(20-15)16-7-5-14(19)6-8-16/h5-10,13,17,23H,2-4,11-12H2,1H3
InChIKeySAIFMWWURIPFNE-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 109400116) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1CCCC1O)C(=O)Cc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is SAIFMWWURIPFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-21(12-13-3-2-4-17(13)23)18(24)11-15-9-10-22(20-15)16-7-5-14(19)6-8-16/h5-10,13,17,23H,2-4,11-12H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 331.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 109400116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).