4-ethyl-5-methyl-3-phenyl-1H-pyrazole

C12H14N2 — CID 118348621

IUPAC4-ethyl-5-methyl-3-phenyl-1H-pyrazole
SMILESCCc1c(-c2ccccc2)n[nH]c1C
InChIInChI=1S/C12H14N2/c1-3-11-9(2)13-14-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyCWVLHHSCCRWDCN-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.95
Rot. Bonds2

About 4-ethyl-5-methyl-3-phenyl-1H-pyrazole

4-ethyl-5-methyl-3-phenyl-1H-pyrazole (PubChem CID 118348621) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-phenyl-1H-pyrazole
PubChem CID118348621
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-ethyl-5-methyl-3-phenyl-1H-pyrazole
SMILESCCc1c(-c2ccccc2)n[nH]c1C
InChIInChI=1S/C12H14N2/c1-3-11-9(2)13-14-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyCWVLHHSCCRWDCN-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-phenyl-1H-pyrazole?
The IUPAC name of 4-ethyl-5-methyl-3-phenyl-1H-pyrazole (CID 118348621) is 4-ethyl-5-methyl-3-phenyl-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-methyl-3-phenyl-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-methyl-3-phenyl-1H-pyrazole is CCc1c(-c2ccccc2)n[nH]c1C.
What is the InChIKey of 4-ethyl-5-methyl-3-phenyl-1H-pyrazole?
The InChIKey is CWVLHHSCCRWDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-11-9(2)13-14-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-5-methyl-3-phenyl-1H-pyrazole?
4-ethyl-5-methyl-3-phenyl-1H-pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3-phenyl-1H-pyrazole is sourced from PubChem (CID 118348621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).