[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone

C20H25N3O2 — CID 138386403

IUPAC[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCCC(C4(O)CC4)C3)[nH]n2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-14-5-7-15(8-6-14)17-12-18(22-21-17)19(24)23-11-3-4-16(13-23)20(25)9-10-20/h5-8,12,16,25H,2-4,9-11,13H2,1H3,(H,21,22)
InChIKeyYTLDMUWAXLZRCG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.02
Rot. Bonds4

About [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone

[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone (PubChem CID 138386403) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
PubChem CID138386403
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCCC(C4(O)CC4)C3)[nH]n2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-14-5-7-15(8-6-14)17-12-18(22-21-17)19(24)23-11-3-4-16(13-23)20(25)9-10-20/h5-8,12,16,25H,2-4,9-11,13H2,1H3,(H,21,22)
InChIKeyYTLDMUWAXLZRCG-UHFFFAOYSA-N
XLogP3.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone (CID 138386403) is [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone is CCc1ccc(-c2cc(C(=O)N3CCCC(C4(O)CC4)C3)[nH]n2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The InChIKey is YTLDMUWAXLZRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-14-5-7-15(8-6-14)17-12-18(22-21-17)19(24)23-11-3-4-16(13-23)20(25)9-10-20/h5-8,12,16,25H,2-4,9-11,13H2,1H3,(H,21,22).
What are the key properties of [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138386403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).