1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole

C18H18N6O — CID 101415849

IUPAC1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
SMILESc1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1
InChIInChI=1S/C18H18N6O/c1-2-7-17(8-3-1)15-25-16-18(22-12-4-9-19-22,23-13-5-10-20-23)24-14-6-11-21-24/h1-14H,15-16H2
InChIKeyVIZYKDAPFRVOQO-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.20
Rot. Bonds7

About 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole

1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole (PubChem CID 101415849) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
PubChem CID101415849
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
SMILESc1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1
InChIInChI=1S/C18H18N6O/c1-2-7-17(8-3-1)15-25-16-18(22-12-4-9-19-22,23-13-5-10-20-23)24-14-6-11-21-24/h1-14H,15-16H2
InChIKeyVIZYKDAPFRVOQO-UHFFFAOYSA-N
XLogP2.20
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1,1-Di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12057030
1-[1,1-Di(pyrazol-1-yl)-2-[[2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12107279
1-[1,1-Di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 16133405
4-[2,2,2-Tri(pyrazol-1-yl)ethoxymethyl]pyridine
CID 102346065
Silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;tetrafluoroborate
CID 139126379
1-[2-[[3-Iodo-5-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 139174994
1-[2-[[3-[2-[3,5-Bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]ethynyl]-5-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 139174995
1-(2-(benzyloxy)ethyl)-3-(1-methyl-1H-pyrazol-3-yl)imidazolidin-2-one
CID 118061120
1-(2-Phenylmethoxyethyl)pyrazole
CID 130537296
N-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]ethanethioamide
CID 137384334
N-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]propanethioamide
CID 146565947
2-methyl-N-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]propanethioamide
CID 153488278

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The IUPAC name of 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole (CID 101415849) is 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole.
What is the SMILES notation for 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The canonical SMILES for 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole is c1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1.
What is the InChIKey of 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The InChIKey is VIZYKDAPFRVOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-2-7-17(8-3-1)15-25-16-18(22-12-4-9-19-22,23-13-5-10-20-23)24-14-6-11-21-24/h1-14H,15-16H2.
What are the key properties of 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole has a molecular weight of 334.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenylmethoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole is sourced from PubChem (CID 101415849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).