7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C12H20N4O2 — CID 176852737

IUPAC7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCN1Cc2cc(C(=O)N(C)C)nn2CC(C)(O)C1
InChIInChI=1S/C12H20N4O2/c1-12(18)7-15(4)6-9-5-10(11(17)14(2)3)13-16(9)8-12/h5,18H,6-8H2,1-4H3
InChIKeyWZIHFIWURUUIRO-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.22
Rot. Bonds1

About 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 176852737) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID176852737
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCN1Cc2cc(C(=O)N(C)C)nn2CC(C)(O)C1
InChIInChI=1S/C12H20N4O2/c1-12(18)7-15(4)6-9-5-10(11(17)14(2)3)13-16(9)8-12/h5,18H,6-8H2,1-4H3
InChIKeyWZIHFIWURUUIRO-UHFFFAOYSA-N
XLogP-0.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 176852737) is 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CN1Cc2cc(C(=O)N(C)C)nn2CC(C)(O)C1.
What is the InChIKey of 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is WZIHFIWURUUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(18)7-15(4)6-9-5-10(11(17)14(2)3)13-16(9)8-12/h5,18H,6-8H2,1-4H3.
What are the key properties of 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N,N,5,7-tetramethyl-6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 176852737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).