[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone

C19H20N6O3S — CID 110239869

IUPAC[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)C3CCCN3C(=O)c3snnc3C)c2N)cc1
InChIInChI=1S/C19H20N6O3S/c1-11-17(29-23-22-11)19(27)24-9-3-4-15(24)16(26)14-10-21-25(18(14)20)12-5-7-13(28-2)8-6-12/h5-8,10,15H,3-4,9,20H2,1-2H3
InChIKeyIMPMREYXNWXTAM-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.11
Rot. Bonds5

About [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone

[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 110239869) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID110239869
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)C3CCCN3C(=O)c3snnc3C)c2N)cc1
InChIInChI=1S/C19H20N6O3S/c1-11-17(29-23-22-11)19(27)24-9-3-4-15(24)16(26)14-10-21-25(18(14)20)12-5-7-13(28-2)8-6-12/h5-8,10,15H,3-4,9,20H2,1-2H3
InChIKeyIMPMREYXNWXTAM-UHFFFAOYSA-N
XLogP2.11
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
(5-amino-1-phenylpyrazol-4-yl)-[(2S)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594885
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594883
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239760
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239771
(5-amino-1-phenylpyrazol-4-yl)-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239808
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92575873
1-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239851
1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548944
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192
[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177812

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone (CID 110239869) is [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone is COc1ccc(-n2ncc(C(=O)C3CCCN3C(=O)c3snnc3C)c2N)cc1.
What is the InChIKey of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is IMPMREYXNWXTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-11-17(29-23-22-11)19(27)24-9-3-4-15(24)16(26)14-10-21-25(18(14)20)12-5-7-13(28-2)8-6-12/h5-8,10,15H,3-4,9,20H2,1-2H3.
What are the key properties of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 412.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 110239869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).