(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone

C22H24F3N5O — CID 131949132

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)c1C
InChIInChI=1S/C22H24F3N5O/c1-3-8-30-15(2)17(14-26-30)21(31)29-11-9-28(10-12-29)19-13-20(22(23,24)25)27-18-7-5-4-6-16(18)19/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyABNJFAQGVINHJM-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.13
Rot. Bonds4

About (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (PubChem CID 131949132) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
PubChem CID131949132
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)c1C
InChIInChI=1S/C22H24F3N5O/c1-3-8-30-15(2)17(14-26-30)21(31)29-11-9-28(10-12-29)19-13-20(22(23,24)25)27-18-7-5-4-6-16(18)19/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyABNJFAQGVINHJM-UHFFFAOYSA-N
XLogP4.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2809481
(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2822624
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 72849446
1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one
CID 131899215
tert-butyl (3S)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 166110445
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72892433
2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988391
(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44822876
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(2-methylquinolin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138378556
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (CID 131949132) is (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is CCCn1ncc(C(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The InChIKey is ABNJFAQGVINHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-3-8-30-15(2)17(14-26-30)21(31)29-11-9-28(10-12-29)19-13-20(22(23,24)25)27-18-7-5-4-6-16(18)19/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone has a molecular weight of 431.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 131949132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).