(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone

C16H17ClN2O — CID 114640840

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CCc2ccccc21
InChIInChI=1S/C16H17ClN2O/c1-2-9-19-15(14(17)10-18-19)16(20)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,2,7-9H2,1H3
InChIKeyPKJOICNMEDSFQY-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.86
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone (PubChem CID 114640840) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
PubChem CID114640840
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CCc2ccccc21
InChIInChI=1S/C16H17ClN2O/c1-2-9-19-15(14(17)10-18-19)16(20)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,2,7-9H2,1H3
InChIKeyPKJOICNMEDSFQY-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114640103
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 114670399
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640839
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114640104
(4-chloro-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 114668822
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(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
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
(4-chloro-1-propylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 114642014
(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928
3,4-dihydro-1H-isochromen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 105100033

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone (CID 114640840) is (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone is CCCn1ncc(Cl)c1C(=O)C1CCc2ccccc21.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone?
The InChIKey is PKJOICNMEDSFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-9-19-15(14(17)10-18-19)16(20)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,2,7-9H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone has a molecular weight of 288.78 g/mol, XLogP of 3.86, 4 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)-(2,3-dihydro-1H-inden-1-yl)methanone is sourced from PubChem (CID 114640840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).