5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H25ClN4 — CID 66243788

IUPAC5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCc1nn(C)c(CN2CC3CNCC3C2(C)C)c1Cl
InChIInChI=1S/C15H25ClN4/c1-5-12-14(16)13(19(4)18-12)9-20-8-10-6-17-7-11(10)15(20,2)3/h10-11,17H,5-9H2,1-4H3
InChIKeyQNKDXFKTCMDOEV-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.07
Rot. Bonds3

About 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66243788) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66243788
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCc1nn(C)c(CN2CC3CNCC3C2(C)C)c1Cl
InChIInChI=1S/C15H25ClN4/c1-5-12-14(16)13(19(4)18-12)9-20-8-10-6-17-7-11(10)15(20,2)3/h10-11,17H,5-9H2,1-4H3
InChIKeyQNKDXFKTCMDOEV-UHFFFAOYSA-N
XLogP2.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681848
5-butyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207819
5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209948
5-[(5-ethylfuran-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242300
4,4-dimethyl-5-(pyridin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243738
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116583884
5-[(4-chlorothiophen-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79426863
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
CID 66197341
4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243182

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66243788) is 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCc1nn(C)c(CN2CC3CNCC3C2(C)C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is QNKDXFKTCMDOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-5-12-14(16)13(19(4)18-12)9-20-8-10-6-17-7-11(10)15(20,2)3/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 296.85 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66243788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).