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

C13H19ClN2O — CID 114640787

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
SMILESCCC1CCC(C(=O)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C13H19ClN2O/c1-3-9-5-6-10(7-9)13(17)12-11(14)8-15-16(12)4-2/h8-10H,3-7H2,1-2H3
InChIKeyAPVMNDGUWFHKJN-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.57
Rot. Bonds4

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

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone (PubChem CID 114640787) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
PubChem CID114640787
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
SMILESCCC1CCC(C(=O)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C13H19ClN2O/c1-3-9-5-6-10(7-9)13(17)12-11(14)8-15-16(12)4-2/h8-10H,3-7H2,1-2H3
InChIKeyAPVMNDGUWFHKJN-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640692
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670290
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456
(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670043
(4-chloro-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114640103
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 114642779
(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 114641985
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
(4-bromo-1-ethylpyrazol-5-yl)-(oxan-4-yl)methanone
CID 114640603

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone (CID 114640787) is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone is CCC1CCC(C(=O)c2c(Cl)cnn2CC)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
The InChIKey is APVMNDGUWFHKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-9-5-6-10(7-9)13(17)12-11(14)8-15-16(12)4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone has a molecular weight of 254.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone is sourced from PubChem (CID 114640787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).