N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide

C18H23N5O — CID 72931571

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)C12CNCC1CNC2
InChIInChI=1S/C18H23N5O/c24-17(18-12-19-8-16(18)9-20-13-18)21-6-15-7-22-23(11-15)10-14-4-2-1-3-5-14/h1-5,7,11,16,19-20H,6,8-10,12-13H2,(H,21,24)
InChIKeyWUNYHFJPVBPSLL-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.36
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 72931571) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID72931571
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)C12CNCC1CNC2
InChIInChI=1S/C18H23N5O/c24-17(18-12-19-8-16(18)9-20-13-18)21-6-15-7-22-23(11-15)10-14-4-2-1-3-5-14/h1-5,7,11,16,19-20H,6,8-10,12-13H2,(H,21,24)
InChIKeyWUNYHFJPVBPSLL-UHFFFAOYSA-N
XLogP0.36
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 167882397
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
(3aS,6aS)-5-(1-benzylpyrazole-4-carbonyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50984042
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183548
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 72931571) is N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide is O=C(NCc1cnn(Cc2ccccc2)c1)C12CNCC1CNC2.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is WUNYHFJPVBPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17(18-12-19-8-16(18)9-20-13-18)21-6-15-7-22-23(11-15)10-14-4-2-1-3-5-14/h1-5,7,11,16,19-20H,6,8-10,12-13H2,(H,21,24).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 72931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).