[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C16H20F3N5O — CID 125173750

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C16H20F3N5O/c1-22-13(11-14(21-22)16(17,18)19)15(25)24-9-3-2-5-12(24)6-10-23-8-4-7-20-23/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3/t12-/m1/s1
InChIKeyCEUIRSPZSGYXKB-GFCCVEGCSA-N
MW355.36 g/mol
LogP2.72
Rot. Bonds4

About [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 125173750) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID125173750
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C16H20F3N5O/c1-22-13(11-14(21-22)16(17,18)19)15(25)24-9-3-2-5-12(24)6-10-23-8-4-7-20-23/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3/t12-/m1/s1
InChIKeyCEUIRSPZSGYXKB-GFCCVEGCSA-N
XLogP2.72
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-3-propylpyrazol-5-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96579491
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 74249087
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796245
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859
(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96581034
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 90653270

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 125173750) is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is CEUIRSPZSGYXKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-22-13(11-14(21-22)16(17,18)19)15(25)24-9-3-2-5-12(24)6-10-23-8-4-7-20-23/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3/t12-/m1/s1.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 355.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125173750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).