5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole

C14H18N2 — CID 118121632

IUPAC5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
SMILESCc1ccccc1-c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H18N2/c1-10-7-5-6-8-11(10)12-9-13(16-15-12)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyXNBPFEQMOBWTGB-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole

5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole (PubChem CID 118121632) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
PubChem CID118121632
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
SMILESCc1ccccc1-c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H18N2/c1-10-7-5-6-8-11(10)12-9-13(16-15-12)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyXNBPFEQMOBWTGB-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine
CID 159840695
2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane
CID 145258701
2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol
CID 15881028
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)phenol
CID 137216121
5-(1,3-dioxan-2-yl)-3-(2-methylphenyl)-1H-pyrazole
CID 155931586
5-tert-butyl-3-phenyl-1H-pyrazole;methyl hydrogen sulfate
CID 173458849
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 2982389
6-(2-methylphenyl)-N-[6-(2-methylphenyl)-2-pyridinyl]pyridin-2-amine
CID 71110099
2-[5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 137175065
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 70901598

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole (CID 118121632) is 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole is Cc1ccccc1-c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole?
The InChIKey is XNBPFEQMOBWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-7-5-6-8-11(10)12-9-13(16-15-12)14(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole?
5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 118121632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).