3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C10H16N4O — CID 170352627

IUPAC3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1c(C(N)=O)nn2c1C(C)NCCC2
InChIInChI=1S/C10H16N4O/c1-6-8(10(11)15)13-14-5-3-4-12-7(2)9(6)14/h7,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyJTMCSYBQWQZNCZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.34
Rot. Bonds1

About 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 170352627) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID170352627
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1c(C(N)=O)nn2c1C(C)NCCC2
InChIInChI=1S/C10H16N4O/c1-6-8(10(11)15)13-14-5-3-4-12-7(2)9(6)14/h7,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyJTMCSYBQWQZNCZ-UHFFFAOYSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 170352627) is 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is Cc1c(C(N)=O)nn2c1C(C)NCCC2.
What is the InChIKey of 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is JTMCSYBQWQZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-8(10(11)15)13-14-5-3-4-12-7(2)9(6)14/h7,12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 170352627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).