1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C14H19N7OS — CID 126948672

IUPAC1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1nnc(N2CCC(n3cc(N4CCN(C)C4=O)cn3)C2)s1
InChIInChI=1S/C14H19N7OS/c1-10-16-17-13(23-10)19-4-3-11(8-19)21-9-12(7-15-21)20-6-5-18(2)14(20)22/h7,9,11H,3-6,8H2,1-2H3
InChIKeyDZRNMYHMEAWARY-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.37
Rot. Bonds3

About 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126948672) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126948672
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1nnc(N2CCC(n3cc(N4CCN(C)C4=O)cn3)C2)s1
InChIInChI=1S/C14H19N7OS/c1-10-16-17-13(23-10)19-4-3-11(8-19)21-9-12(7-15-21)20-6-5-18(2)14(20)22/h7,9,11H,3-6,8H2,1-2H3
InChIKeyDZRNMYHMEAWARY-UHFFFAOYSA-N
XLogP1.37
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948793
1-methyl-3-[1-[1-(5-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948796
1-[1-[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948670
1-cyclopropyl-3-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]pyrazin-2-one
CID 126948834
1-methyl-3-[1-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789
1-[1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948677
1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948852
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948655
1-methyl-3-[1-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948754
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649
6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]piperidin-2-one
CID 126946131

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126948672) is 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cc1nnc(N2CCC(n3cc(N4CCN(C)C4=O)cn3)C2)s1.
What is the InChIKey of 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is DZRNMYHMEAWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7OS/c1-10-16-17-13(23-10)19-4-3-11(8-19)21-9-12(7-15-21)20-6-5-18(2)14(20)22/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 333.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126948672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).