(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C15H20N4OS — CID 127247587

IUPAC(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1ccc(C(=O)N2CCCC(c3nccs3)C2)n1
InChIInChI=1S/C15H20N4OS/c1-2-7-19-9-5-13(17-19)15(20)18-8-3-4-12(11-18)14-16-6-10-21-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyPKKDAZZYHOTCLE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.77
Rot. Bonds4

About (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 127247587) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID127247587
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1ccc(C(=O)N2CCCC(c3nccs3)C2)n1
InChIInChI=1S/C15H20N4OS/c1-2-7-19-9-5-13(17-19)15(20)18-8-3-4-12(11-18)14-16-6-10-21-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyPKKDAZZYHOTCLE-UHFFFAOYSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125016375
(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 175652301
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-propylpyrazol-3-yl)methanone
CID 35535451
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
2-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95178650
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579197
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 127247587) is (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCCn1ccc(C(=O)N2CCCC(c3nccs3)C2)n1.
What is the InChIKey of (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PKKDAZZYHOTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-7-19-9-5-13(17-19)15(20)18-8-3-4-12(11-18)14-16-6-10-21-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 304.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127247587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).