(1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C23H24F3N5O — CID 2811412

IUPAC(1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H24F3N5O/c1-2-6-20-19(16-28-31(20)18-7-4-3-5-8-18)22(32)30-13-11-29(12-14-30)21-10-9-17(15-27-21)23(24,25)26/h3-5,7-10,15-16H,2,6,11-14H2,1H3
InChIKeyQTJSPOSCAVBOCH-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.20
Rot. Bonds5

About (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2811412) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2811412
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name(1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H24F3N5O/c1-2-6-20-19(16-28-31(20)18-7-4-3-5-8-18)22(32)30-13-11-29(12-14-30)21-10-9-17(15-27-21)23(24,25)26/h3-5,7-10,15-16H,2,6,11-14H2,1H3
InChIKeyQTJSPOSCAVBOCH-UHFFFAOYSA-N
XLogP4.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

BI-1935
CID 57861407
Dipyridodiazepinone deriv. 52
CID 463572
Dipyridodiazepinone deriv. 53
CID 463573
Dipyridodiazepinone deriv. 54
CID 5327611
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
Dipyridodiazepinone deriv. 34
CID 463554
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
[(7R)-7-methyl-4-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 24964574
[(7R)-7-methyl-4-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24965286
[(7R)-4-(6,7-difluoroquinoxalin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 24965645

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2811412) is (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is CCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccc1.
What is the InChIKey of (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is QTJSPOSCAVBOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-2-6-20-19(16-28-31(20)18-7-4-3-5-8-18)22(32)30-13-11-29(12-14-30)21-10-9-17(15-27-21)23(24,25)26/h3-5,7-10,15-16H,2,6,11-14H2,1H3.
What are the key properties of (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 443.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-5-propylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2811412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).