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

C16H18N6OS — CID 95603816

IUPAC[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCC[C@@H]3Cn3cccn3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-20-9-12(8-18-20)15-19-14(11-24-15)16(23)22-7-2-4-13(22)10-21-6-3-5-17-21/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3/t13-/m1/s1
InChIKeyGVUNQQIURXNTPS-CYBMUJFWSA-N
MW342.43 g/mol
LogP2.04
Rot. Bonds4

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

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95603816) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95603816
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCC[C@@H]3Cn3cccn3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-20-9-12(8-18-20)15-19-14(11-24-15)16(23)22-7-2-4-13(22)10-21-6-3-5-17-21/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3/t13-/m1/s1
InChIKeyGVUNQQIURXNTPS-CYBMUJFWSA-N
XLogP2.04
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
CID 56778945
ethyl (3S)-1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 94010683
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602579
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 71685067
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95603816) is [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is Cn1cc(-c2nc(C(=O)N3CCC[C@@H]3Cn3cccn3)cs2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GVUNQQIURXNTPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-20-9-12(8-18-20)15-19-14(11-24-15)16(23)22-7-2-4-13(22)10-21-6-3-5-17-21/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3/t13-/m1/s1.
What are the key properties of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 342.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95603816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).