[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone

C22H20N4OS — CID 154850370

IUPAC[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1csc(C2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)n1
InChIInChI=1S/C22H20N4OS/c1-14-13-28-21(23-14)18-8-9-26(12-18)22(27)20-11-19(24-25-20)17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10-11,13,18H,8-9,12H2,1H3,(H,24,25)
InChIKeyGVGCDPXNFYDKHY-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.62
Rot. Bonds3

About [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone

[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone (PubChem CID 154850370) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
PubChem CID154850370
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1csc(C2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)n1
InChIInChI=1S/C22H20N4OS/c1-14-13-28-21(23-14)18-8-9-26(12-18)22(27)20-11-19(24-25-20)17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10-11,13,18H,8-9,12H2,1H3,(H,24,25)
InChIKeyGVGCDPXNFYDKHY-UHFFFAOYSA-N
XLogP4.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
(3-naphthalen-2-yl-1H-pyrazol-5-yl)-[4-(triazol-1-yl)azepan-1-yl]methanone
CID 166250141
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842100
3a,6a-dimethyl-5-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,6-dihydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166249068
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125165768
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119635571
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
CID 154850398
[3-(2-methylphenyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 70757998
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 100634778
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone (CID 154850370) is [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone is Cc1csc(C2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)n1.
What is the InChIKey of [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is GVGCDPXNFYDKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-14-13-28-21(23-14)18-8-9-26(12-18)22(27)20-11-19(24-25-20)17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10-11,13,18H,8-9,12H2,1H3,(H,24,25).
What are the key properties of [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 388.50 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 154850370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).