3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C15H17N5O2 — CID 71477723

IUPAC3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCN(C)C(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1
InChIInChI=1S/C15H17N5O2/c1-19(2)15(22)20-8-11-12(9-20)17-18-13(11)16-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,16,17,18,21)
InChIKeyQPNLLPRMJMYDDB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.66
Rot. Bonds2

About 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 71477723) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID71477723
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCN(C)C(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1
InChIInChI=1S/C15H17N5O2/c1-19(2)15(22)20-8-11-12(9-20)17-18-13(11)16-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,16,17,18,21)
InChIKeyQPNLLPRMJMYDDB-UHFFFAOYSA-N
XLogP1.66
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 71477723) is 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CN(C)C(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1.
What is the InChIKey of 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is QPNLLPRMJMYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-19(2)15(22)20-8-11-12(9-20)17-18-13(11)16-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 71477723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).