4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine

C23H22N4O2 — CID 129257845

IUPAC4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
SMILESCCc1[nH]nc(-c2ccncn2)c1-c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-3-20-22(23(27-26-20)21-12-13-24-15-25-21)17-6-10-19(11-7-17)29-14-16-4-8-18(28-2)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,26,27)
InChIKeyKKPGHRWWUSZAEQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.68
Rot. Bonds7

About 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine

4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine (PubChem CID 129257845) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
PubChem CID129257845
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
SMILESCCc1[nH]nc(-c2ccncn2)c1-c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-3-20-22(23(27-26-20)21-12-13-24-15-25-21)17-6-10-19(11-7-17)29-14-16-4-8-18(28-2)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,26,27)
InChIKeyKKPGHRWWUSZAEQ-UHFFFAOYSA-N
XLogP4.68
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
The IUPAC name of 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine (CID 129257845) is 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
The canonical SMILES for 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine is CCc1[nH]nc(-c2ccncn2)c1-c1ccc(OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
The InChIKey is KKPGHRWWUSZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-20-22(23(27-26-20)21-12-13-24-15-25-21)17-6-10-19(11-7-17)29-14-16-4-8-18(28-2)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,26,27).
What are the key properties of 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 129257845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).