(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C14H16F3N5O — CID 71926880

IUPAC(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C14H16F3N5O/c1-8-10(6-18-19-8)13(23)22-4-2-3-9(7-22)11-5-12(21-20-11)14(15,16)17/h5-6,9H,2-4,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyGOANMJGGKDKWLU-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.48
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 71926880) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID71926880
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C14H16F3N5O/c1-8-10(6-18-19-8)13(23)22-4-2-3-9(7-22)11-5-12(21-20-11)14(15,16)17/h5-6,9H,2-4,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyGOANMJGGKDKWLU-UHFFFAOYSA-N
XLogP2.48
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089
(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62867413
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926885
(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926907
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
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-ethyl-1H-pyrazol-4-yl)methanone
CID 72142628
3-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 72148217
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72940539
3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 75464242
(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110254294
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56752976

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 71926880) is (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is Cc1[nH]ncc1C(=O)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is GOANMJGGKDKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-10(6-18-19-8)13(23)22-4-2-3-9(7-22)11-5-12(21-20-11)14(15,16)17/h5-6,9H,2-4,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 327.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71926880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).