4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole

C15H20N2O — CID 95201153

IUPAC4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole
SMILESCCO[C@H](C)c1ccc(-c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H20N2O/c1-5-18-12(4)13-6-8-14(9-7-13)15-10(2)16-17-11(15)3/h6-9,12H,5H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyRVTOWAWBFOCKTN-GFCCVEGCSA-N
MW244.34 g/mol
LogP3.79
Rot. Bonds4

About 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole

4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 95201153) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole
PubChem CID95201153
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole
SMILESCCO[C@H](C)c1ccc(-c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H20N2O/c1-5-18-12(4)13-6-8-14(9-7-13)15-10(2)16-17-11(15)3/h6-9,12H,5H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyRVTOWAWBFOCKTN-GFCCVEGCSA-N
XLogP3.79
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole (CID 95201153) is 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole is CCO[C@H](C)c1ccc(-c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is RVTOWAWBFOCKTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-18-12(4)13-6-8-14(9-7-13)15-10(2)16-17-11(15)3/h6-9,12H,5H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole?
4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 95201153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).