(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone

C13H20ClN3O — CID 106976698

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)c2c(Cl)cnn2CC)CCCN1
InChIInChI=1S/C13H20ClN3O/c1-3-6-13(7-5-8-15-13)12(18)11-10(14)9-16-17(11)4-2/h9,15H,3-8H2,1-2H3
InChIKeyPNNPTDXVODLHAW-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.66
Rot. Bonds5

About (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976698) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976698
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)c2c(Cl)cnn2CC)CCCN1
InChIInChI=1S/C13H20ClN3O/c1-3-6-13(7-5-8-15-13)12(18)11-10(14)9-16-17(11)4-2/h9,15H,3-8H2,1-2H3
InChIKeyPNNPTDXVODLHAW-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976754
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114669350
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608096
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone (CID 106976698) is (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)c2c(Cl)cnn2CC)CCCN1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is PNNPTDXVODLHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-6-13(7-5-8-15-13)12(18)11-10(14)9-16-17(11)4-2/h9,15H,3-8H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 269.78 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).