3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C12H19ClN4O — CID 176852797

IUPAC3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC1CCn2nc(C(=O)N(C)C)c(Cl)c2CN1C
InChIInChI=1S/C12H19ClN4O/c1-8-5-6-17-9(7-16(8)4)10(13)11(14-17)12(18)15(2)3/h8H,5-7H2,1-4H3
InChIKeyASQJMSBHYNJYCQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.46
Rot. Bonds1

About 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 176852797) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID176852797
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC1CCn2nc(C(=O)N(C)C)c(Cl)c2CN1C
InChIInChI=1S/C12H19ClN4O/c1-8-5-6-17-9(7-16(8)4)10(13)11(14-17)12(18)15(2)3/h8H,5-7H2,1-4H3
InChIKeyASQJMSBHYNJYCQ-UHFFFAOYSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 176852797) is 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC1CCn2nc(C(=O)N(C)C)c(Cl)c2CN1C.
What is the InChIKey of 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is ASQJMSBHYNJYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-5-6-17-9(7-16(8)4)10(13)11(14-17)12(18)15(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N,5,6-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 176852797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).