1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole

C21H34N6 — CID 135224957

IUPAC1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole
SMILESCC(C)c1cnn(C2CN(CC(C)c3cnn(C4CN(C(C)C)C4)c3)C2)c1
InChIInChI=1S/C21H34N6/c1-15(2)18-6-22-26(9-18)20-11-24(12-20)8-17(5)19-7-23-27(10-19)21-13-25(14-21)16(3)4/h6-7,9-10,15-17,20-21H,8,11-14H2,1-5H3
InChIKeyVMXVZLUSIHEVGI-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.13
Rot. Bonds7

About 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole

1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole (PubChem CID 135224957) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole.

Molecular Properties

Compound Name1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole
PubChem CID135224957
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole
SMILESCC(C)c1cnn(C2CN(CC(C)c3cnn(C4CN(C(C)C)C4)c3)C2)c1
InChIInChI=1S/C21H34N6/c1-15(2)18-6-22-26(9-18)20-11-24(12-20)8-17(5)19-7-23-27(10-19)21-13-25(14-21)16(3)4/h6-7,9-10,15-17,20-21H,8,11-14H2,1-5H3
InChIKeyVMXVZLUSIHEVGI-UHFFFAOYSA-N
XLogP3.13
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole?
The IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole (CID 135224957) is 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole.
What is the SMILES notation for 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole?
The canonical SMILES for 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole is CC(C)c1cnn(C2CN(CC(C)c3cnn(C4CN(C(C)C)C4)c3)C2)c1.
What is the InChIKey of 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole?
The InChIKey is VMXVZLUSIHEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-15(2)18-6-22-26(9-18)20-11-24(12-20)8-17(5)19-7-23-27(10-19)21-13-25(14-21)16(3)4/h6-7,9-10,15-17,20-21H,8,11-14H2,1-5H3.
What are the key properties of 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole?
1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole has a molecular weight of 370.55 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylazetidin-3-yl)-4-[1-[3-(4-propan-2-ylpyrazol-1-yl)azetidin-1-yl]propan-2-yl]pyrazole is sourced from PubChem (CID 135224957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).