[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone

C15H24ClN3O2 — CID 114669197

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2c(Cl)cnn2CCOC)CCCNC1
InChIInChI=1S/C15H24ClN3O2/c1-3-5-15(6-4-7-17-11-15)14(20)13-12(16)10-18-19(13)8-9-21-2/h10,17H,3-9,11H2,1-2H3
InChIKeyVZILQBLVWHJUEQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.54
Rot. Bonds7

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone (PubChem CID 114669197) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
PubChem CID114669197
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2c(Cl)cnn2CCOC)CCCNC1
InChIInChI=1S/C15H24ClN3O2/c1-3-5-15(6-4-7-17-11-15)14(20)13-12(16)10-18-19(13)8-9-21-2/h10,17H,3-9,11H2,1-2H3
InChIKeyVZILQBLVWHJUEQ-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670686
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-phenylcyclopropyl)methanone
CID 114640014
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
CID 114668048
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone (CID 114669197) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2c(Cl)cnn2CCOC)CCCNC1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone?
The InChIKey is VZILQBLVWHJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-3-5-15(6-4-7-17-11-15)14(20)13-12(16)10-18-19(13)8-9-21-2/h10,17H,3-9,11H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone has a molecular weight of 313.83 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 114669197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).