1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole

C20H18N8 — CID 91103256

IUPAC1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
SMILESc1cnn(C(c2ccc(C(n3cccn3)n3cccn3)cc2)n2cccn2)c1
InChIInChI=1S/C20H18N8/c1-9-21-25(13-1)19(26-14-2-10-22-26)17-5-7-18(8-6-17)20(27-15-3-11-23-27)28-16-4-12-24-28/h1-16,19-20H
InChIKeyYPKWQSGTBBTRMD-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.66
Rot. Bonds6

About 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole

1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole (PubChem CID 91103256) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole.

Molecular Properties

Compound Name1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
PubChem CID91103256
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
SMILESc1cnn(C(c2ccc(C(n3cccn3)n3cccn3)cc2)n2cccn2)c1
InChIInChI=1S/C20H18N8/c1-9-21-25(13-1)19(26-14-2-10-22-26)17-5-7-18(8-6-17)20(27-15-3-11-23-27)28-16-4-12-24-28/h1-16,19-20H
InChIKeyYPKWQSGTBBTRMD-UHFFFAOYSA-N
XLogP2.66
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The IUPAC name of 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole (CID 91103256) is 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole.
What is the SMILES notation for 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The canonical SMILES for 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole is c1cnn(C(c2ccc(C(n3cccn3)n3cccn3)cc2)n2cccn2)c1.
What is the InChIKey of 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The InChIKey is YPKWQSGTBBTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-9-21-25(13-1)19(26-14-2-10-22-26)17-5-7-18(8-6-17)20(27-15-3-11-23-27)28-16-4-12-24-28/h1-16,19-20H.
What are the key properties of 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole has a molecular weight of 370.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole is sourced from PubChem (CID 91103256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).