1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole

C30H30N12O2 — CID 12057030

IUPAC1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
SMILESc1cnn(C(COCc2ccc(COCC(n3cccn3)(n3cccn3)n3cccn3)cc2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C30H30N12O2/c1-11-31-37(17-1)29(38-18-2-12-32-38,39-19-3-13-33-39)25-43-23-27-7-9-28(10-8-27)24-44-26-30(40-20-4-14-34-40,41-21-5-15-35-41)42-22-6-16-36-42/h1-22H,23-26H2
InChIKeyMRBFRHQYLASZGG-UHFFFAOYSA-N
MW590.65 g/mol
LogP2.71
Rot. Bonds14

About 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole

1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole (PubChem CID 12057030) has the molecular formula C30H30N12O2 and a molecular weight of 590.65 g/mol. Its IUPAC name is 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole.

Molecular Properties

Compound Name1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
PubChem CID12057030
Molecular FormulaC30H30N12O2
Molecular Weight590.65 g/mol
Exact Mass590.26
IUPAC Name1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
SMILESc1cnn(C(COCc2ccc(COCC(n3cccn3)(n3cccn3)n3cccn3)cc2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C30H30N12O2/c1-11-31-37(17-1)29(38-18-2-12-32-38,39-19-3-13-33-39)25-43-23-27-7-9-28(10-8-27)24-44-26-30(40-20-4-14-34-40,41-21-5-15-35-41)42-22-6-16-36-42/h1-22H,23-26H2
InChIKeyMRBFRHQYLASZGG-UHFFFAOYSA-N
XLogP2.71
TPSA125.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 101245088
2-methyl-N-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]propanethioamide
CID 153488278
1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 24999461
2-(3,3-difluoro-4-phenylmethoxybutyl)triazole
CID 146967401
3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
CID 175133057
1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole
CID 166175354
(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
CID 135182123
2-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111856425
1-ethyl-3-(2-pyrazol-1-ylethyl)-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111857925
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?
The IUPAC name of 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole (CID 12057030) is 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole.
What is the SMILES notation for 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?
The canonical SMILES for 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole is c1cnn(C(COCc2ccc(COCC(n3cccn3)(n3cccn3)n3cccn3)cc2)(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?
The InChIKey is MRBFRHQYLASZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N12O2/c1-11-31-37(17-1)29(38-18-2-12-32-38,39-19-3-13-33-39)25-43-23-27-7-9-28(10-8-27)24-44-26-30(40-20-4-14-34-40,41-21-5-15-35-41)42-22-6-16-36-42/h1-22H,23-26H2.
What are the key properties of 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?
1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole has a molecular weight of 590.65 g/mol, XLogP of 2.71, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole is sourced from PubChem (CID 12057030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).