4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one

C13H16N4O2S — CID 136538685

IUPAC4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESCc1nn(C)cc1C1CCCN1C(=O)c1csc(=O)[nH]1
InChIInChI=1S/C13H16N4O2S/c1-8-9(6-16(2)15-8)11-4-3-5-17(11)12(18)10-7-20-13(19)14-10/h6-7,11H,3-5H2,1-2H3,(H,14,19)
InChIKeyIRMXDCOPZXUAKF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.46
Rot. Bonds2

About 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one

4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one (PubChem CID 136538685) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one
PubChem CID136538685
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESCc1nn(C)cc1C1CCCN1C(=O)c1csc(=O)[nH]1
InChIInChI=1S/C13H16N4O2S/c1-8-9(6-16(2)15-8)11-4-3-5-17(11)12(18)10-7-20-13(19)14-10/h6-7,11H,3-5H2,1-2H3,(H,14,19)
InChIKeyIRMXDCOPZXUAKF-UHFFFAOYSA-N
XLogP1.46
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564527
[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazin-8-yl)methanone
CID 166296334
[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 92628246
2-(2-chloro-6-methoxyphenyl)-1-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136531704
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 93064619
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
N-[[4-[1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095748
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
1,6-dimethyl-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 95735764
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735701
N-[[6-[(2R)-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125020730
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one (CID 136538685) is 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one is Cc1nn(C)cc1C1CCCN1C(=O)c1csc(=O)[nH]1.
What is the InChIKey of 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The InChIKey is IRMXDCOPZXUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-9(6-16(2)15-8)11-4-3-5-17(11)12(18)10-7-20-13(19)14-10/h6-7,11H,3-5H2,1-2H3,(H,14,19).
What are the key properties of 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one?
4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one has a molecular weight of 292.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136538685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).