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

C15H19F2N5O2 — CID 119069840

IUPAC[5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCCC(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)
InChIKeyNEASLEWNSIYTQW-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.56
Rot. Bonds5

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

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 119069840) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
PubChem CID119069840
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCCC(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)
InChIKeyNEASLEWNSIYTQW-UHFFFAOYSA-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

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

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Related Compounds

US10022354, Example 165
CID 121279436
US10022354, Example 112
CID 132070192
US10022354, Example 162
CID 132070202
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926885
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929
1H-pyrazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121223
[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110270990
{1-[(1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-4-piperidinyl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 28641930
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118794667
5-cyclohexyl-N-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 137832615
[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 138035400
[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 164637898

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 119069840) is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is O=C(c1cc(C(F)F)[nH]n1)N1CCCC(c2ccn(CCO)n2)C1.
What is the InChIKey of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is NEASLEWNSIYTQW-UHFFFAOYSA-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).
What are the key properties of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[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]-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 119069840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).