4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one

C21H26N6O — CID 110224842

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCCC2c2[nH]ncc2-c2ccncc2)n1
InChIInChI=1S/C21H26N6O/c1-15-13-16(2)27(25-15)12-4-6-20(28)26-11-3-5-19(26)21-18(14-23-24-21)17-7-9-22-10-8-17/h7-10,13-14,19H,3-6,11-12H2,1-2H3,(H,23,24)
InChIKeyRNPCVFYWLGTEAC-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.43
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one

4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 110224842) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID110224842
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCCC2c2[nH]ncc2-c2ccncc2)n1
InChIInChI=1S/C21H26N6O/c1-15-13-16(2)27(25-15)12-4-6-20(28)26-11-3-5-19(26)21-18(14-23-24-21)17-7-9-22-10-8-17/h7-10,13-14,19H,3-6,11-12H2,1-2H3,(H,23,24)
InChIKeyRNPCVFYWLGTEAC-UHFFFAOYSA-N
XLogP3.43
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 16670929
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CID 92557663
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
4-(2-fluorophenoxy)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92573114
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one
CID 124961386
2-(2,5-dimethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
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1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 110224827
2-(2-methoxy-4-methylphenoxy)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 46958095
(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92604652
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92588153
1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 92553793

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one (CID 110224842) is 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one is Cc1cc(C)n(CCCC(=O)N2CCCC2c2[nH]ncc2-c2ccncc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is RNPCVFYWLGTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-13-16(2)27(25-15)12-4-6-20(28)26-11-3-5-19(26)21-18(14-23-24-21)17-7-9-22-10-8-17/h7-10,13-14,19H,3-6,11-12H2,1-2H3,(H,23,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 378.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110224842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).