7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole

C17H14ClF2N5 — CID 163302557

IUPAC7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole
SMILESC=C(c1c(F)cccc1F)N1CCn2ncc(-c3n[nH]c(Cl)c3C)c21
InChIInChI=1S/C17H14ClF2N5/c1-9-15(22-23-16(9)18)11-8-21-25-7-6-24(17(11)25)10(2)14-12(19)4-3-5-13(14)20/h3-5,8H,2,6-7H2,1H3,(H,22,23)
InChIKeyRPYZEALPXCVWKE-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.00
Rot. Bonds3

About 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole

7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole (PubChem CID 163302557) has the molecular formula C17H14ClF2N5 and a molecular weight of 361.78 g/mol. Its IUPAC name is 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole
PubChem CID163302557
Molecular FormulaC17H14ClF2N5
Molecular Weight361.78 g/mol
Exact Mass361.09
IUPAC Name7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole
SMILESC=C(c1c(F)cccc1F)N1CCn2ncc(-c3n[nH]c(Cl)c3C)c21
InChIInChI=1S/C17H14ClF2N5/c1-9-15(22-23-16(9)18)11-8-21-25-7-6-24(17(11)25)10(2)14-12(19)4-3-5-13(14)20/h3-5,8H,2,6-7H2,1H3,(H,22,23)
InChIKeyRPYZEALPXCVWKE-UHFFFAOYSA-N
XLogP4.00
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-chloro-6-fluorophenyl)-1H-pyrazol-5-yl]methyl]-2-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 117949164
3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazole
CID 152081043
4-[1-(2-chloro-6-fluorophenyl)ethenyl]-3-(4-methyl-1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 163302543
5-Chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
CID 163302560
8-(2-Chloro-6-fluoro-4-methylphenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302563
8-(2,6-Difluorophenyl)-5-methyl-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
CID 163302567
8-(2-Fluoro-6-methylphenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302568
8-(2-Chloro-6-fluorophenyl)-5-methyl-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
CID 163302593
2,4-Difluoro-3-(3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaen-8-yl)benzonitrile
CID 163302604
8-(3-Chloro-2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302647
8-(2,6-Difluoro-3-methylphenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302654
8-(2-Chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302657

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole?
The IUPAC name of 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole (CID 163302557) is 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole?
The canonical SMILES for 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole is C=C(c1c(F)cccc1F)N1CCn2ncc(-c3n[nH]c(Cl)c3C)c21.
What is the InChIKey of 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole?
The InChIKey is RPYZEALPXCVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5/c1-9-15(22-23-16(9)18)11-8-21-25-7-6-24(17(11)25)10(2)14-12(19)4-3-5-13(14)20/h3-5,8H,2,6-7H2,1H3,(H,22,23).
What are the key properties of 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole?
7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole has a molecular weight of 361.78 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole is sourced from PubChem (CID 163302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).