[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone

C26H22F3N5O2 — CID 46579254

IUPAC[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C26H22F3N5O2/c1-17-22(16-31-34(17)23-10-9-19(15-30-23)26(27,28)29)25(36)33-13-11-32(12-14-33)24(35)21-8-4-6-18-5-2-3-7-20(18)21/h2-10,15-16H,11-14H2,1H3
InChIKeyVYHMBHQDVWAKRD-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.35
Rot. Bonds3

About [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone

[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 46579254) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID46579254
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C26H22F3N5O2/c1-17-22(16-31-34(17)23-10-9-19(15-30-23)26(27,28)29)25(36)33-13-11-32(12-14-33)24(35)21-8-4-6-18-5-2-3-7-20(18)21/h2-10,15-16H,11-14H2,1H3
InChIKeyVYHMBHQDVWAKRD-UHFFFAOYSA-N
XLogP4.35
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]butanenitrile
CID 56532460
N,N-dimethyl-2-[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55682864
N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 43064110
(2-hydroxyphenyl)-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55645976
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 55604027
N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
CID 35066330
N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 55519778
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532607
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380
N-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55717058

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone (CID 46579254) is [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone is Cc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is VYHMBHQDVWAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-17-22(16-31-34(17)23-10-9-19(15-30-23)26(27,28)29)25(36)33-13-11-32(12-14-33)24(35)21-8-4-6-18-5-2-3-7-20(18)21/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 493.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 46579254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).