(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

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

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

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Related Compounds

(3aS,6aR)-4-(1-methylpyrazol-4-yl)-1-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97378491
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961
[(3aS,6aR)-1-(furan-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155860039
[(3aS,6aR)-1-[(4-fluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155828577
[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 164642742
(3aS,7aR)-4-(1-methylpyrazol-4-yl)-1-(pyridine-4-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379366
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
(3aS,6aR)-4-(1-methylpyrazol-4-yl)-1-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 155862365
(3aS,9aR)-1-(1-methylpyrazole-4-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 110136582
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[(4aR,7aS)-4-(1-methylpyrazole-4-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone
CID 70757424

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).