[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

C15H19F2N5O2 — CID 126444376

IUPAC[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C15H19F2N5O2/c16-14(17)12-8-13(19-18-12)15(24)21-4-1-2-10(9-21)11-3-5-22(20-11)6-7-23/h3,5,8,10,14,23H,1-2,4,6-7,9H2,(H,18,19)/t10-/m0/s1
InChIKeyNEASLEWNSIYTQW-JTQLQIEISA-N
MW339.35 g/mol
LogP1.56
Rot. Bonds5

About [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 126444376) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
PubChem CID126444376
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C15H19F2N5O2/c16-14(17)12-8-13(19-18-12)15(24)21-4-1-2-10(9-21)11-3-5-22(20-11)6-7-23/h3,5,8,10,14,23H,1-2,4,6-7,9H2,(H,18,19)/t10-/m0/s1
InChIKeyNEASLEWNSIYTQW-JTQLQIEISA-N
XLogP1.56
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 126444376) is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](c2ccn(CCO)n2)C1.
What is the InChIKey of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is NEASLEWNSIYTQW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F2N5O2/c16-14(17)12-8-13(19-18-12)15(24)21-4-1-2-10(9-21)11-3-5-22(20-11)6-7-23/h3,5,8,10,14,23H,1-2,4,6-7,9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 339.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 126444376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).