4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole

C14H14Cl2N2O — CID 122561537

IUPAC4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
SMILESClc1ccc(-c2cnn(C3CCCCO3)c2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c15-11-4-5-12(13(16)7-11)10-8-17-18(9-10)14-3-1-2-6-19-14/h4-5,7-9,14H,1-3,6H2
InChIKeyIKLQEBZROZRJAL-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.56
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole

4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole (PubChem CID 122561537) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
PubChem CID122561537
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
SMILESClc1ccc(-c2cnn(C3CCCCO3)c2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c15-11-4-5-12(13(16)7-11)10-8-17-18(9-10)14-3-1-2-6-19-14/h4-5,7-9,14H,1-3,6H2
InChIKeyIKLQEBZROZRJAL-UHFFFAOYSA-N
XLogP4.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179
3-chloro-5-[1-(oxan-2-yl)pyrazol-4-yl]benzonitrile
CID 172991022
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine
CID 175998549
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982
3-chloro-9-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[3]benzoxepino[4,5-b]pyridine
CID 166173787
5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156699124
2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
CID 166638783
1-(benzenesulfonyl)-6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 170427028
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole (CID 122561537) is 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole is Clc1ccc(-c2cnn(C3CCCCO3)c2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole?
The InChIKey is IKLQEBZROZRJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-11-4-5-12(13(16)7-11)10-8-17-18(9-10)14-3-1-2-6-19-14/h4-5,7-9,14H,1-3,6H2.
What are the key properties of 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole?
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole has a molecular weight of 297.19 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 122561537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).