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

C13H16N4OS — CID 127245559

IUPAC(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC(Cc3nccs3)C2)n1
InChIInChI=1S/C13H16N4OS/c1-16-5-3-11(15-16)13(18)17-6-2-10(9-17)8-12-14-4-7-19-12/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyALIBLVFWFLTYIT-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.58
Rot. Bonds3

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

(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 127245559) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID127245559
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC(Cc3nccs3)C2)n1
InChIInChI=1S/C13H16N4OS/c1-16-5-3-11(15-16)13(18)17-6-2-10(9-17)8-12-14-4-7-19-12/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyALIBLVFWFLTYIT-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95824418
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125016946
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 127245559) is (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is Cn1ccc(C(=O)N2CCC(Cc3nccs3)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ALIBLVFWFLTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16-5-3-11(15-16)13(18)17-6-2-10(9-17)8-12-14-4-7-19-12/h3-5,7,10H,2,6,8-9H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127245559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).