(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide

C18H20N6OS — CID 97435687

IUPAC(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)Nc3snnc3-c3ccccc3)C2)n1
InChIInChI=1S/C18H20N6OS/c1-12-10-13(2)24(21-12)15-8-9-23(11-15)18(25)19-17-16(20-22-26-17)14-6-4-3-5-7-14/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,25)/t15-/m1/s1
InChIKeyONMKIENAPWDLOR-OAHLLOKOSA-N
MW368.47 g/mol
LogP3.50
Rot. Bonds3

About (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 97435687) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID97435687
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)Nc3snnc3-c3ccccc3)C2)n1
InChIInChI=1S/C18H20N6OS/c1-12-10-13(2)24(21-12)15-8-9-23(11-15)18(25)19-17-16(20-22-26-17)14-6-4-3-5-7-14/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,25)/t15-/m1/s1
InChIKeyONMKIENAPWDLOR-OAHLLOKOSA-N
XLogP3.50
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 97435687) is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3snnc3-c3ccccc3)C2)n1.
What is the InChIKey of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is ONMKIENAPWDLOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-10-13(2)24(21-12)15-8-9-23(11-15)18(25)19-17-16(20-22-26-17)14-6-4-3-5-7-14/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,25)/t15-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide?
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97435687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).