[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C13H16N4OS — CID 95350732

IUPAC[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2cscn2)c1
InChIInChI=1S/C13H16N4OS/c1-10-5-15-16(6-10)7-11-3-2-4-17(11)13(18)12-8-19-9-14-12/h5-6,8-9,11H,2-4,7H2,1H3/t11-/m1/s1
InChIKeyZXAJNMMYUYLLTG-LLVKDONJSA-N
MW276.36 g/mol
LogP1.95
Rot. Bonds3

About [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95350732) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95350732
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2cscn2)c1
InChIInChI=1S/C13H16N4OS/c1-10-5-15-16(6-10)7-11-3-2-4-17(11)13(18)12-8-19-9-14-12/h5-6,8-9,11H,2-4,7H2,1H3/t11-/m1/s1
InChIKeyZXAJNMMYUYLLTG-LLVKDONJSA-N
XLogP1.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541640
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95350732) is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cnn(C[C@H]2CCCN2C(=O)c2cscn2)c1.
What is the InChIKey of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ZXAJNMMYUYLLTG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-5-15-16(6-10)7-11-3-2-4-17(11)13(18)12-8-19-9-14-12/h5-6,8-9,11H,2-4,7H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95350732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).