[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone

C17H20FN3O2 — CID 122138150

IUPAC[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCCn1cc(C2CCN(C(=O)c3ccc(F)cc3O)CC2)cn1
InChIInChI=1S/C17H20FN3O2/c1-2-21-11-13(10-19-21)12-5-7-20(8-6-12)17(23)15-4-3-14(18)9-16(15)22/h3-4,9-12,22H,2,5-8H2,1H3
InChIKeyHJOBLHZHYZQURF-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.77
Rot. Bonds3

About [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 122138150) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID122138150
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCCn1cc(C2CCN(C(=O)c3ccc(F)cc3O)CC2)cn1
InChIInChI=1S/C17H20FN3O2/c1-2-21-11-13(10-19-21)12-5-7-20(8-6-12)17(23)15-4-3-14(18)9-16(15)22/h3-4,9-12,22H,2,5-8H2,1H3
InChIKeyHJOBLHZHYZQURF-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
CID 126785476
2-[2-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 120549869
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830121
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637111

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone (CID 122138150) is [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone is CCn1cc(C2CCN(C(=O)c3ccc(F)cc3O)CC2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is HJOBLHZHYZQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-21-11-13(10-19-21)12-5-7-20(8-6-12)17(23)15-4-3-14(18)9-16(15)22/h3-4,9-12,22H,2,5-8H2,1H3.
What are the key properties of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 317.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 122138150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).