ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole

C21H38N2 — CID 154685645

IUPACethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole
SMILESCC.CC.CC.CCc1nn(C)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C15H20N2.3C2H6/c1-5-13-14(11(2)3)15(17(4)16-13)12-9-7-6-8-10-12;3*1-2/h6-11H,5H2,1-4H3;3*1-2H3
InChIKeyRQABNTPXWCLYGV-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.85
Rot. Bonds3

About ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole

ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole (PubChem CID 154685645) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole
PubChem CID154685645
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Nameethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole
SMILESCC.CC.CC.CCc1nn(C)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C15H20N2.3C2H6/c1-5-13-14(11(2)3)15(17(4)16-13)12-9-7-6-8-10-12;3*1-2/h6-11H,5H2,1-4H3;3*1-2H3
InChIKeyRQABNTPXWCLYGV-UHFFFAOYSA-N
XLogP6.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21441230
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CID 71400546
3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
CID 15194305
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
4,5-diphenyl-1-propylimidazole
CID 14950648
1-ethyl-2-phenyl-3-propan-2-ylpyrrole
CID 1270769
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
4-ethyl-2-methylphthalazin-1-one
CID 58923354
3-ethyl-1-methyl-6-N-(1-phenylethyl)indazole-5,6-diamine
CID 123458939
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
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CID 174693231

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole?
The IUPAC name of ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole (CID 154685645) is ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole.
What is the SMILES notation for ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole?
The canonical SMILES for ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole is CC.CC.CC.CCc1nn(C)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole?
The InChIKey is RQABNTPXWCLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.3C2H6/c1-5-13-14(11(2)3)15(17(4)16-13)12-9-7-6-8-10-12;3*1-2/h6-11H,5H2,1-4H3;3*1-2H3.
What are the key properties of ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole?
ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole has a molecular weight of 318.55 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 154685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).