2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H24N6 — CID 126934119

IUPAC2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cncnc1N1CC2CN(Cc3cn[nH]c3C3CC3)CC2C1
InChIInChI=1S/C18H24N6/c1-12-4-19-11-20-18(12)24-9-15-7-23(8-16(15)10-24)6-14-5-21-22-17(14)13-2-3-13/h4-5,11,13,15-16H,2-3,6-10H2,1H3,(H,21,22)
InChIKeyUSHHUZJJLGFZMF-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.95
Rot. Bonds4

About 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126934119) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126934119
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cncnc1N1CC2CN(Cc3cn[nH]c3C3CC3)CC2C1
InChIInChI=1S/C18H24N6/c1-12-4-19-11-20-18(12)24-9-15-7-23(8-16(15)10-24)6-14-5-21-22-17(14)13-2-3-13/h4-5,11,13,15-16H,2-3,6-10H2,1H3,(H,21,22)
InChIKeyUSHHUZJJLGFZMF-UHFFFAOYSA-N
XLogP1.95
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
5-cyclopropyl-2-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126934092
5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole
CID 126934112
2-(cyclohexylmethyl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933958
3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,5-oxadiazole
CID 126934065
2-methyl-5-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3,4-thiadiazole
CID 126934063
5-(5-methylpyrimidin-4-yl)-2-(2-pyrrolidin-1-ylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933952
2-methyl-4-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126934088
2-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 126934083
3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126934111
2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934158
5-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 126933959

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126934119) is 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cncnc1N1CC2CN(Cc3cn[nH]c3C3CC3)CC2C1.
What is the InChIKey of 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is USHHUZJJLGFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-12-4-19-11-20-18(12)24-9-15-7-23(8-16(15)10-24)6-14-5-21-22-17(14)13-2-3-13/h4-5,11,13,15-16H,2-3,6-10H2,1H3,(H,21,22).
What are the key properties of 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 324.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126934119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).