(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

C23H23F3N4O — CID 110263955

IUPAC(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCCC1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H23F3N4O/c1-15-19(14-29(2)28-15)22(31)30-10-4-7-21(30)20-9-8-17(13-27-20)11-16-5-3-6-18(12-16)23(24,25)26/h3,5-6,8-9,12-14,21H,4,7,10-11H2,1-2H3
InChIKeyQBWROGRWAQAJBH-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.71
Rot. Bonds4

About (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110263955) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID110263955
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCCC1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H23F3N4O/c1-15-19(14-29(2)28-15)22(31)30-10-4-7-21(30)20-9-8-17(13-27-20)11-16-5-3-6-18(12-16)23(24,25)26/h3,5-6,8-9,12-14,21H,4,7,10-11H2,1-2H3
InChIKeyQBWROGRWAQAJBH-UHFFFAOYSA-N
XLogP4.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263943
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92615622
3-(tetrazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 92615273
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92615648
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615594
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92616522
(1,3-dimethylpyrazol-4-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 99600988
N-[[6-[(2R)-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125020730
2-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 110263955) is (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CCCC1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is QBWROGRWAQAJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-15-19(14-29(2)28-15)22(31)30-10-4-7-21(30)20-9-8-17(13-27-20)11-16-5-3-6-18(12-16)23(24,25)26/h3,5-6,8-9,12-14,21H,4,7,10-11H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 428.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110263955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).