(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone

C15H25N3O2 — CID 114669187

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2c(OC)cnn2CC)CCCNC1
InChIInChI=1S/C15H25N3O2/c1-4-7-15(8-6-9-16-11-15)14(19)13-12(20-3)10-17-18(13)5-2/h10,16H,4-9,11H2,1-3H3
InChIKeyCLUOODLWCQQTPJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds6

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone

(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 114669187) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
PubChem CID114669187
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2c(OC)cnn2CC)CCCNC1
InChIInChI=1S/C15H25N3O2/c1-4-7-15(8-6-9-16-11-15)14(19)13-12(20-3)10-17-18(13)5-2/h10,16H,4-9,11H2,1-3H3
InChIKeyCLUOODLWCQQTPJ-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 114669215
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 114642771
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone (CID 114669187) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2c(OC)cnn2CC)CCCNC1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is CLUOODLWCQQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-7-15(8-6-9-16-11-15)14(19)13-12(20-3)10-17-18(13)5-2/h10,16H,4-9,11H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 114669187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).