N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

C13H18N6O — CID 97461963

IUPACN,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1nccn1C)C2
InChIInChI=1S/C13H18N6O/c1-17(2)13(20)12-9-6-19(7-10(9)15-16-12)8-11-14-4-5-18(11)3/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyHXYLEDIKVUPUEW-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.36
Rot. Bonds3

About N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97461963) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97461963
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1nccn1C)C2
InChIInChI=1S/C13H18N6O/c1-17(2)13(20)12-9-6-19(7-10(9)15-16-12)8-11-14-4-5-18(11)3/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyHXYLEDIKVUPUEW-UHFFFAOYSA-N
XLogP0.36
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97461963) is N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(Cc1nccn1C)C2.
What is the InChIKey of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is HXYLEDIKVUPUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-17(2)13(20)12-9-6-19(7-10(9)15-16-12)8-11-14-4-5-18(11)3/h4-5H,6-8H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97461963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).