N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide

C20H20ClN5O3S — CID 58440968

IUPACN-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)Nc2cc3n(n2)CCN3c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClN5O3S/c1-30(28,29)24-16-7-5-14(6-8-16)11-19(27)22-18-13-20-25(9-10-26(20)23-18)17-4-2-3-15(21)12-17/h2-8,12-13,24H,9-11H2,1H3,(H,22,23,27)
InChIKeyWCWOOGYCKKMKGN-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide

N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide (PubChem CID 58440968) has the molecular formula C20H20ClN5O3S and a molecular weight of 445.93 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide
PubChem CID58440968
Molecular FormulaC20H20ClN5O3S
Molecular Weight445.93 g/mol
Exact Mass445.10
IUPAC NameN-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)Nc2cc3n(n2)CCN3c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClN5O3S/c1-30(28,29)24-16-7-5-14(6-8-16)11-19(27)22-18-13-20-25(9-10-26(20)23-18)17-4-2-3-15(21)12-17/h2-8,12-13,24H,9-11H2,1H3,(H,22,23,27)
InChIKeyWCWOOGYCKKMKGN-UHFFFAOYSA-N
XLogP3.24
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide (CID 58440968) is N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccc(CC(=O)Nc2cc3n(n2)CCN3c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide?
The InChIKey is WCWOOGYCKKMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3S/c1-30(28,29)24-16-7-5-14(6-8-16)11-19(27)22-18-13-20-25(9-10-26(20)23-18)17-4-2-3-15(21)12-17/h2-8,12-13,24H,9-11H2,1H3,(H,22,23,27).
What are the key properties of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide?
N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide has a molecular weight of 445.93 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-[4-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 58440968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).