4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole

C14H18N2 — CID 139474826

IUPAC4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N2/c1-10-13(9-15-16-10)11-5-7-12(8-6-11)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyNAINTLLSCRSRSO-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole

4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole (PubChem CID 139474826) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
PubChem CID139474826
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N2/c1-10-13(9-15-16-10)11-5-7-12(8-6-11)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyNAINTLLSCRSRSO-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

5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
CID 39222026
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
CID 154878944
4-bromo-5-(4-tert-butylphenyl)-1H-pyrazole
CID 61394961
5-methyl-4-(1H-pyrazol-5-yl)-1H-pyrazole
CID 130918479
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117431686
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
1-tert-butyl-4-methylbenzene
CID 163486601
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
CID 44512575
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
CID 23134481
3,5-bis(4-tert-butylphenyl)-4-ethynylpyridine
CID 146681888
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole (CID 139474826) is 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole is Cc1[nH]ncc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole?
The InChIKey is NAINTLLSCRSRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-13(9-15-16-10)11-5-7-12(8-6-11)14(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole?
4-(4-tert-butylphenyl)-5-methyl-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 4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 139474826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).