[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

C14H17F2N5O — CID 126431232

IUPAC[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C14H17F2N5O/c15-13(16)11-6-12(19-18-11)14(22)21-4-1-2-10(8-21)7-20-5-3-17-9-20/h3,5-6,9-10,13H,1-2,4,7-8H2,(H,18,19)/t10-/m1/s1
InChIKeyUOJCFZVTQHSUGZ-SNVBAGLBSA-N
MW309.32 g/mol
LogP2.10
Rot. Bonds4

About [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126431232) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID126431232
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C14H17F2N5O/c15-13(16)11-6-12(19-18-11)14(22)21-4-1-2-10(8-21)7-20-5-3-17-9-20/h3,5-6,9-10,13H,1-2,4,7-8H2,(H,18,19)/t10-/m1/s1
InChIKeyUOJCFZVTQHSUGZ-SNVBAGLBSA-N
XLogP2.10
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95225853
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 110244283
(2-hydroxy-5-pyrrol-1-ylphenyl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95200466
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97116810
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 72923772
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 97206767
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone
CID 57404825
formic acid;[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-3-yl)methanone
CID 171707050

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 126431232) is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](Cn2ccnc2)C1.
What is the InChIKey of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UOJCFZVTQHSUGZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F2N5O/c15-13(16)11-6-12(19-18-11)14(22)21-4-1-2-10(8-21)7-20-5-3-17-9-20/h3,5-6,9-10,13H,1-2,4,7-8H2,(H,18,19)/t10-/m1/s1.
What are the key properties of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 309.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126431232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).