[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone

C14H15F2N5O — CID 51590865

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C14H15F2N5O/c15-14(16)21-7-3-11(19-21)13(22)20-6-1-2-10(9-20)12-8-17-4-5-18-12/h3-5,7-8,10,14H,1-2,6,9H2/t10-/m0/s1
InChIKeyYVPZAAMITSTMMR-JTQLQIEISA-N
MW307.30 g/mol
LogP2.09
Rot. Bonds3

About [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone (PubChem CID 51590865) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
PubChem CID51590865
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C14H15F2N5O/c15-14(16)21-7-3-11(19-21)13(22)20-6-1-2-10(9-20)12-8-17-4-5-18-12/h3-5,7-8,10,14H,1-2,6,9H2/t10-/m0/s1
InChIKeyYVPZAAMITSTMMR-JTQLQIEISA-N
XLogP2.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
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[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
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(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
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[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
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2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone (CID 51590865) is [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone is O=C(c1ccn(C(F)F)n1)N1CCC[C@H](c2cnccn2)C1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The InChIKey is YVPZAAMITSTMMR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F2N5O/c15-14(16)21-7-3-11(19-21)13(22)20-6-1-2-10(9-20)12-8-17-4-5-18-12/h3-5,7-8,10,14H,1-2,6,9H2/t10-/m0/s1.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone has a molecular weight of 307.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 51590865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).