1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole

C15H20N2O — CID 1474486

IUPAC1-tert-butyl-4-(2-methoxyphenyl)-3-methylpyrazole
SMILESCC1=NN(C=C1C2=CC=CC=C2OC)C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-11-13(10-17(16-11)15(2,3)4)12-8-6-7-9-14(12)18-5/h6-10H,1-5H3
InChIKeyOORNOTNEIXVSMH-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.10
Rot. Bonds3

About 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole

1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole (PubChem CID 1474486) has the molecular formula C15H20N2O and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole
PubChem CID1474486
Molecular FormulaC15H20N2O
Molecular Weight244.33 g/mol
Exact Mass244.16
IUPAC Name1-tert-butyl-4-(2-methoxyphenyl)-3-methylpyrazole
SMILESCC1=NN(C=C1C2=CC=CC=C2OC)C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-11-13(10-17(16-11)15(2,3)4)12-8-6-7-9-14(12)18-5/h6-10H,1-5H3
InChIKeyOORNOTNEIXVSMH-UHFFFAOYSA-N
XLogP3.10
TPSA27.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
(NE)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6894322
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
3-(4-Methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 880209
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol
CID 16190591
2-[4-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 44351275

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole?
The IUPAC name of 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole (CID 1474486) is 1-tert-butyl-4-(2-methoxyphenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole?
The canonical SMILES for 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole is CC1=NN(C=C1C2=CC=CC=C2OC)C(C)(C)C.
What is the InChIKey of 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole?
The InChIKey is OORNOTNEIXVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-13(10-17(16-11)15(2,3)4)12-8-6-7-9-14(12)18-5/h6-10H,1-5H3.
What are the key properties of 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole?
1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole has a molecular weight of 244.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyl)-4-(2-methoxyphenyl)-3-methyl-1H-pyrazole is sourced from PubChem (CID 1474486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).