1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole

C20H18N8 — CID 91184187

IUPAC1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
SMILESc1cc(C(n2cccn2)n2cccn2)cc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C20H18N8/c1-6-17(19(25-12-2-8-21-25)26-13-3-9-22-26)16-18(7-1)20(27-14-4-10-23-27)28-15-5-11-24-28/h1-16,19-20H
InChIKeyDPJDMGDYOFTUGD-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.66
Rot. Bonds6

About 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole

1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole (PubChem CID 91184187) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole.

Molecular Properties

Compound Name1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
PubChem CID91184187
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
SMILESc1cc(C(n2cccn2)n2cccn2)cc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C20H18N8/c1-6-17(19(25-12-2-8-21-25)26-13-3-9-22-26)16-18(7-1)20(27-14-4-10-23-27)28-15-5-11-24-28/h1-16,19-20H
InChIKeyDPJDMGDYOFTUGD-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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Related Compounds

4-[2-(1H-pyrazol-1-yl)ethyl]-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]piperidine
CID 70739734
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CID 76332049
1,3-Bis(pyrazolyl-1-carbonyl)benzene
CID 15190535
Hexa(pyrazol-1-ylmethyl)benzene
CID 15190545
1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-
CID 5242475
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CID 24180282
1-propyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole
CID 72879526
1-(1-Phenyl-1-pyrazol-1-ylethyl)pyrazole
CID 4367534
1-[Diphenyl(pyrazol-1-yl)methyl]pyrazole
CID 5247496
[3-[1-[(3,5-Dimethylpyrazol-1-yl)-[3-[3-(sulfanylmethyl)phenyl]pyrazol-1-yl]methyl]pyrazol-3-yl]phenyl]methanethiol
CID 12103527
2-[Tri(pyrazol-1-yl)methyl]aniline
CID 24179155
1,4-Bis(di(1H-pyrazol-1-yl)methyl)benzene
CID 91103256

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The IUPAC name of 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole (CID 91184187) is 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole.
What is the SMILES notation for 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The canonical SMILES for 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole is c1cc(C(n2cccn2)n2cccn2)cc(C(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The InChIKey is DPJDMGDYOFTUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-6-17(19(25-12-2-8-21-25)26-13-3-9-22-26)16-18(7-1)20(27-14-4-10-23-27)28-15-5-11-24-28/h1-16,19-20H.
What are the key properties of 1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
1-[[3-[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-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole is sourced from PubChem (CID 91184187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).