(8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

C18H17ClN4O2 — CID 41386860

IUPAC(8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCOCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](C)C3
InChIInChI=1S/C18H17ClN4O2/c1-10-6-14-17(15(24)7-10)20-21-18-16(11-4-3-5-12(19)8-11)13(9-25-2)22-23(14)18/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m1/s1
InChIKeyIQQDUTCQTTWMIT-SNVBAGLBSA-N
MW356.81 g/mol
LogP3.36
Rot. Bonds3

About (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

(8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (PubChem CID 41386860) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.

Molecular Properties

Compound Name(8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
PubChem CID41386860
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name(8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCOCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](C)C3
InChIInChI=1S/C18H17ClN4O2/c1-10-6-14-17(15(24)7-10)20-21-18-16(11-4-3-5-12(19)8-11)13(9-25-2)22-23(14)18/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m1/s1
InChIKeyIQQDUTCQTTWMIT-SNVBAGLBSA-N
XLogP3.36
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one with MolForge

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Related Compounds

3-(3-chlorophenyl)-8-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 16584284
8-(3-chlorophenyl)-2-(methoxymethyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 16585169
3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17198631
(8R)-3-(4-fluorophenyl)-8-(2-hydroxyphenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 26182836
2-(methoxymethyl)-3-naphthalen-1-yl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 16585174
2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 17121551
5-(3-chlorophenyl)-11-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(methoxymethyl)-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66507334
(8S)-3-(4-chlorophenyl)-2-ethyl-8-thiophen-2-yl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 26182853
3-(3-chlorophenyl)-2-(methoxymethyl)-6-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504133
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-8-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17198644
6-(3-chlorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503931
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733

Frequently Asked Questions

What is the IUPAC name of (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The IUPAC name of (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (CID 41386860) is (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.
What is the SMILES notation for (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The canonical SMILES for (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](C)C3.
What is the InChIKey of (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The InChIKey is IQQDUTCQTTWMIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-10-6-14-17(15(24)7-10)20-21-18-16(11-4-3-5-12(19)8-11)13(9-25-2)22-23(14)18/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
(8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one has a molecular weight of 356.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(3-chlorophenyl)-2-(methoxymethyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is sourced from PubChem (CID 41386860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).