2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C19H25N7O — CID 163346859

IUPAC2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESC=CCNC(=O)N1CC2CN(c3cc(-n4nc(C)cc4C)ncn3)CC2C1
InChIInChI=1S/C19H25N7O/c1-4-5-20-19(27)25-10-15-8-24(9-16(15)11-25)17-7-18(22-12-21-17)26-14(3)6-13(2)23-26/h4,6-7,12,15-16H,1,5,8-11H2,2-3H3,(H,20,27)
InChIKeyVDCNLZCONBBHIK-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.54
Rot. Bonds4

About 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 163346859) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID163346859
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESC=CCNC(=O)N1CC2CN(c3cc(-n4nc(C)cc4C)ncn3)CC2C1
InChIInChI=1S/C19H25N7O/c1-4-5-20-19(27)25-10-15-8-24(9-16(15)11-25)17-7-18(22-12-21-17)26-14(3)6-13(2)23-26/h4,6-7,12,15-16H,1,5,8-11H2,2-3H3,(H,20,27)
InChIKeyVDCNLZCONBBHIK-UHFFFAOYSA-N
XLogP1.54
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 163346859) is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is C=CCNC(=O)N1CC2CN(c3cc(-n4nc(C)cc4C)ncn3)CC2C1.
What is the InChIKey of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is VDCNLZCONBBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-5-20-19(27)25-10-15-8-24(9-16(15)11-25)17-7-18(22-12-21-17)26-14(3)6-13(2)23-26/h4,6-7,12,15-16H,1,5,8-11H2,2-3H3,(H,20,27).
What are the key properties of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 163346859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).