1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole

C62H72N12 — CID 158372486

IUPAC1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole
SMILESc1cc(C2CC2)n(C2CNC2)n1.c1ccc(C(c2ccccc2)N2CC(n3ccc(C4CC4)n3)C2)cc1.c1ccc(C(c2ccccc2)N2CC(n3nccc3C3CC3)C2)cc1.c1cn(C2CNC2)nc1C1CC1
InChIInChI=1S/2C22H23N3.2C9H13N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)24-15-20(16-24)25-14-13-21(23-25)17-11-12-17;1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)24-15-20(16-24)25-21(13-14-23-25)17-11-12-17;1-2-7(1)9-3-4-12(11-9)8-5-10-6-8;1-2-7(1)9-3-4-11-12(9)8-5-10-6-8/h2*1-10,13-14,17,20,22H,11-12,15-16H2;2*3-4,7-8,10H,1-2,5-6H2
InChIKeyGUTZNWORRLHGTH-UHFFFAOYSA-N
MW985.34 g/mol
LogP10.62
Rot. Bonds14

About 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole

1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole (PubChem CID 158372486) has the molecular formula C62H72N12 and a molecular weight of 985.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole
PubChem CID158372486
Molecular FormulaC62H72N12
Molecular Weight985.34 g/mol
Exact Mass984.60
IUPAC Name1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole
SMILESc1cc(C2CC2)n(C2CNC2)n1.c1ccc(C(c2ccccc2)N2CC(n3ccc(C4CC4)n3)C2)cc1.c1ccc(C(c2ccccc2)N2CC(n3nccc3C3CC3)C2)cc1.c1cn(C2CNC2)nc1C1CC1
InChIInChI=1S/2C22H23N3.2C9H13N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)24-15-20(16-24)25-14-13-21(23-25)17-11-12-17;1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)24-15-20(16-24)25-21(13-14-23-25)17-11-12-17;1-2-7(1)9-3-4-12(11-9)8-5-10-6-8;1-2-7(1)9-3-4-11-12(9)8-5-10-6-8/h2*1-10,13-14,17,20,22H,11-12,15-16H2;2*3-4,7-8,10H,1-2,5-6H2
InChIKeyGUTZNWORRLHGTH-UHFFFAOYSA-N
XLogP10.62
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.34
LogP ≤ 510.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole?
The IUPAC name of 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole (CID 158372486) is 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole is c1cc(C2CC2)n(C2CNC2)n1.c1ccc(C(c2ccccc2)N2CC(n3ccc(C4CC4)n3)C2)cc1.c1ccc(C(c2ccccc2)N2CC(n3nccc3C3CC3)C2)cc1.c1cn(C2CNC2)nc1C1CC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole?
The InChIKey is GUTZNWORRLHGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N3.2C9H13N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)24-15-20(16-24)25-14-13-21(23-25)17-11-12-17;1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)24-15-20(16-24)25-21(13-14-23-25)17-11-12-17;1-2-7(1)9-3-4-12(11-9)8-5-10-6-8;1-2-7(1)9-3-4-11-12(9)8-5-10-6-8/h2*1-10,13-14,17,20,22H,11-12,15-16H2;2*3-4,7-8,10H,1-2,5-6H2.
What are the key properties of 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole?
1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole has a molecular weight of 985.34 g/mol, XLogP of 10.62, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-cyclopropylpyrazole;1-(azetidin-3-yl)-5-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-3-cyclopropylpyrazole;1-(1-benzhydrylazetidin-3-yl)-5-cyclopropylpyrazole is sourced from PubChem (CID 158372486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).