(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C15H16F3N5O — CID 172899991

IUPAC(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H16F3N5O/c1-21-10-11(9-20-21)14(24)23-7-5-22(6-8-23)13-12(15(16,17)18)3-2-4-19-13/h2-4,9-10H,5-8H2,1H3
InChIKeyNNDZVCURAPZZAJ-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.80
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 172899991) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID172899991
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H16F3N5O/c1-21-10-11(9-20-21)14(24)23-7-5-22(6-8-23)13-12(15(16,17)18)3-2-4-19-13/h2-4,9-10H,5-8H2,1H3
InChIKeyNNDZVCURAPZZAJ-UHFFFAOYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 133300594
1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone
CID 58368568
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220
4-oxo-4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butanoic acid
CID 2741588
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 75501601
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2741605

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 172899991) is (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cn1cc(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is NNDZVCURAPZZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-21-10-11(9-20-21)14(24)23-7-5-22(6-8-23)13-12(15(16,17)18)3-2-4-19-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 172899991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).