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(1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone

C16H19N5O — CID 118752968

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC3C2CCN3c2ccccn2)cn1
InChIInChI=1S/C16H19N5O/c1-19-11-12(10-18-19)16(22)21-9-6-13-14(21)5-8-20(13)15-4-2-3-7-17-15/h2-4,7,10-11,13-14H,5-6,8-9H2,1H3
InChIKeyQRVXBEAAVNEKCD-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.31
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone

(1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone (PubChem CID 118752968) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone
PubChem CID118752968
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC3C2CCN3c2ccccn2)cn1
InChIInChI=1S/C16H19N5O/c1-19-11-12(10-18-19)16(22)21-9-6-13-14(21)5-8-20(13)15-4-2-3-7-17-15/h2-4,7,10-11,13-14H,5-6,8-9H2,1H3
InChIKeyQRVXBEAAVNEKCD-UHFFFAOYSA-N
XLogP1.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone (CID 118752968) is (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone is Cn1cc(C(=O)N2CCC3C2CCN3c2ccccn2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone?
The InChIKey is QRVXBEAAVNEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-19-11-12(10-18-19)16(22)21-9-6-13-14(21)5-8-20(13)15-4-2-3-7-17-15/h2-4,7,10-11,13-14H,5-6,8-9H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone?
(1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(1-pyridin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)methanone is sourced from PubChem (CID 118752968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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