(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone

C14H21ClN2O — CID 114640796

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CCC(CC)C1
InChIInChI=1S/C14H21ClN2O/c1-3-7-17-13(12(15)9-16-17)14(18)11-6-5-10(4-2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyYTSMEYGXHXKKRZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.96
Rot. Bonds5

About (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone (PubChem CID 114640796) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
PubChem CID114640796
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CCC(CC)C1
InChIInChI=1S/C14H21ClN2O/c1-3-7-17-13(12(15)9-16-17)14(18)11-6-5-10(4-2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyYTSMEYGXHXKKRZ-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640787
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640692
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 114641985
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669718
(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928
[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670290
(4-chloro-1-propylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 114642014
(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone (CID 114640796) is (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone is CCCn1ncc(Cl)c1C(=O)C1CCC(CC)C1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
The InChIKey is YTSMEYGXHXKKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-7-17-13(12(15)9-16-17)14(18)11-6-5-10(4-2)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone has a molecular weight of 268.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone is sourced from PubChem (CID 114640796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).