1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole

C25H24N2O2 — CID 19587123

IUPAC1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C25H24N2O2/c1-4-18-7-5-6-8-24(18)27-25(20-11-15-22(29-3)16-12-20)17-23(26-27)19-9-13-21(28-2)14-10-19/h5-17H,4H2,1-3H3
InChIKeyNBYQZISBSAOFKP-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.79
Rot. Bonds6

About 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole

1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole (PubChem CID 19587123) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
PubChem CID19587123
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C25H24N2O2/c1-4-18-7-5-6-8-24(18)27-25(20-11-15-22(29-3)16-12-20)17-23(26-27)19-9-13-21(28-2)14-10-19/h5-17H,4H2,1-3H3
InChIKeyNBYQZISBSAOFKP-UHFFFAOYSA-N
XLogP5.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole
CID 174958210
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine
CID 153410207
4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
CID 141141752
(7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128220
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole?
The IUPAC name of 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole (CID 19587123) is 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole?
The canonical SMILES for 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole is CCc1ccccc1-n1nc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole?
The InChIKey is NBYQZISBSAOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-4-18-7-5-6-8-24(18)27-25(20-11-15-22(29-3)16-12-20)17-23(26-27)19-9-13-21(28-2)14-10-19/h5-17H,4H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole?
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole has a molecular weight of 384.48 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 19587123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).