2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide

C19H18N4O3 — CID 143420484

IUPAC2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
SMILESCOc1ccc2c(c1)CCn1nc(-c3ccc(O)cc3)c(C(N)=O)c1N2
InChIInChI=1S/C19H18N4O3/c1-26-14-6-7-15-12(10-14)8-9-23-19(21-15)16(18(20)25)17(22-23)11-2-4-13(24)5-3-11/h2-7,10,21,24H,8-9H2,1H3,(H2,20,25)
InChIKeyXJMYHDNKGXRICW-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide

2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide (PubChem CID 143420484) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
PubChem CID143420484
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
SMILESCOc1ccc2c(c1)CCn1nc(-c3ccc(O)cc3)c(C(N)=O)c1N2
InChIInChI=1S/C19H18N4O3/c1-26-14-6-7-15-12(10-14)8-9-23-19(21-15)16(18(20)25)17(22-23)11-2-4-13(24)5-3-11/h2-7,10,21,24H,8-9H2,1H3,(H2,20,25)
InChIKeyXJMYHDNKGXRICW-UHFFFAOYSA-N
XLogP2.66
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide (CID 143420484) is 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide is COc1ccc2c(c1)CCn1nc(-c3ccc(O)cc3)c(C(N)=O)c1N2.
What is the InChIKey of 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
The InChIKey is XJMYHDNKGXRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-14-6-7-15-12(10-14)8-9-23-19(21-15)16(18(20)25)17(22-23)11-2-4-13(24)5-3-11/h2-7,10,21,24H,8-9H2,1H3,(H2,20,25).
What are the key properties of 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide is sourced from PubChem (CID 143420484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).