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

C15H19ClN4OS — CID 125016375

IUPAC(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCC[C@@H](c3nccs3)C2)n1
InChIInChI=1S/C15H19ClN4OS/c1-2-6-20-10-12(16)13(18-20)15(21)19-7-3-4-11(9-19)14-17-5-8-22-14/h5,8,10-11H,2-4,6-7,9H2,1H3/t11-/m1/s1
InChIKeyXABPWIOTJCKNCO-LLVKDONJSA-N
MW338.86 g/mol
LogP3.42
Rot. Bonds4

About (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 125016375) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID125016375
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCC[C@@H](c3nccs3)C2)n1
InChIInChI=1S/C15H19ClN4OS/c1-2-6-20-10-12(16)13(18-20)15(21)19-7-3-4-11(9-19)14-17-5-8-22-14/h5,8,10-11H,2-4,6-7,9H2,1H3/t11-/m1/s1
InChIKeyXABPWIOTJCKNCO-LLVKDONJSA-N
XLogP3.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270611
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247587
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110096144
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95844686
6-[1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115171
6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125022204
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
(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
3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761150
2-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95178650

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 125016375) is (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCCn1cc(Cl)c(C(=O)N2CCC[C@@H](c3nccs3)C2)n1.
What is the InChIKey of (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XABPWIOTJCKNCO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-2-6-20-10-12(16)13(18-20)15(21)19-7-3-4-11(9-19)14-17-5-8-22-14/h5,8,10-11H,2-4,6-7,9H2,1H3/t11-/m1/s1.
What are the key properties of (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 338.86 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125016375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).