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

C24H22N4O4 — CID 159415994

IUPACcarbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
SMILESCCc1[nH]nc(-c2ccncn2)c1-c1ccc(OCc2ccc(OC)cc2)cc1.O=C=O
InChIInChI=1S/C23H22N4O2.CO2/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;2-1-3/h4-13,15H,3,14H2,1-2H3,(H,26,27);
InChIKeyLPDZWBZYCDTMOK-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.10
Rot. Bonds7

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

carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine (PubChem CID 159415994) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Namecarbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
PubChem CID159415994
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Namecarbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
SMILESCCc1[nH]nc(-c2ccncn2)c1-c1ccc(OCc2ccc(OC)cc2)cc1.O=C=O
InChIInChI=1S/C23H22N4O2.CO2/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;2-1-3/h4-13,15H,3,14H2,1-2H3,(H,26,27);
InChIKeyLPDZWBZYCDTMOK-UHFFFAOYSA-N
XLogP4.10
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
The IUPAC name of carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine (CID 159415994) is carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine.
What is the SMILES notation for carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
The canonical SMILES for carbon dioxide;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.O=C=O.
What is the InChIKey of carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
The InChIKey is LPDZWBZYCDTMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.CO2/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;2-1-3/h4-13,15H,3,14H2,1-2H3,(H,26,27);.
What are the key properties of carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine?
carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine has a molecular weight of 430.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 159415994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).