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

C17H28N4 — CID 66209789

IUPAC5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-13-17-10-18-9-14(17)11-20(13)12-15-7-8-21(19-15)16-5-3-2-4-6-16/h7-8,13-14,16-18H,2-6,9-12H2,1H3
InChIKeyPRCBEJDVLMSREN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.43
Rot. Bonds3

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

5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209789) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209789
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-13-17-10-18-9-14(17)11-20(13)12-15-7-8-21(19-15)16-5-3-2-4-6-16/h7-8,13-14,16-18H,2-6,9-12H2,1H3
InChIKeyPRCBEJDVLMSREN-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681665
4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107045290
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
CID 66211269
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
2-(bromomethyl)-4-[(1-cyclohexylpyrazol-3-yl)methyl]-5-methylmorpholine
CID 81212721
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 64870597
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
5-[(4-bromophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213416

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209789) is 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is PRCBEJDVLMSREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-17-10-18-9-14(17)11-20(13)12-15-7-8-21(19-15)16-5-3-2-4-6-16/h7-8,13-14,16-18H,2-6,9-12H2,1H3.
What are the key properties of 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 288.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).