[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

C16H17ClN2O2 — CID 115815185

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H17ClN2O2/c1-21-8-7-19-15(14(17)10-18-19)16(20)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyDYFDBYYHPGHYFN-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.90
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 115815185) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID115815185
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H17ClN2O2/c1-21-8-7-19-15(14(17)10-18-19)16(20)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyDYFDBYYHPGHYFN-UHFFFAOYSA-N
XLogP2.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669775
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methanone
CID 115815253
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115815107
(2-amino-4-methoxyphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670767
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-phenylcyclopropyl)methanone
CID 114640014
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815191
(4-amino-3,5-dichlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114671126
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
(2-bromo-5-methoxyphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 105135470
(3-bromo-2-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815340
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (CID 115815185) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is COCCn1ncc(Cl)c1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is DYFDBYYHPGHYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-8-7-19-15(14(17)10-18-19)16(20)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 115815185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).