N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C18H23ClN4O2 — CID 70765722

IUPACN-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCCOc1ccc(CN2CCn3nc(CNC(C)=O)cc3C2)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-3-25-18-5-4-14(8-17(18)19)11-22-6-7-23-16(12-22)9-15(21-23)10-20-13(2)24/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,24)
InChIKeyKCUMSIYBLJVIEZ-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.59
Rot. Bonds6

About N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 70765722) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID70765722
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCCOc1ccc(CN2CCn3nc(CNC(C)=O)cc3C2)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-3-25-18-5-4-14(8-17(18)19)11-22-6-7-23-16(12-22)9-15(21-23)10-20-13(2)24/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,24)
InChIKeyKCUMSIYBLJVIEZ-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 70765722) is N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CCOc1ccc(CN2CCn3nc(CNC(C)=O)cc3C2)cc1Cl.
What is the InChIKey of N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is KCUMSIYBLJVIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-3-25-18-5-4-14(8-17(18)19)11-22-6-7-23-16(12-22)9-15(21-23)10-20-13(2)24/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,24).
What are the key properties of N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 362.86 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 70765722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).