5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole

C15H20N2O — CID 10083201

IUPAC5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCCCCc1ccnn1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-5-14-10-11-16-17(14)12-13-6-8-15(18-2)9-7-13/h6-11H,3-5,12H2,1-2H3
InChIKeyPVJPMUKBTBSTLT-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.28
Rot. Bonds6

About 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole

5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 10083201) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID10083201
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCCCCc1ccnn1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-5-14-10-11-16-17(14)12-13-6-8-15(18-2)9-7-13/h6-11H,3-5,12H2,1-2H3
InChIKeyPVJPMUKBTBSTLT-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
2-Isopropyl-3-(4-methoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11358099
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 6882781
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole (CID 10083201) is 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole is CCCCc1ccnn1Cc1ccc(OC)cc1.
What is the InChIKey of 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is PVJPMUKBTBSTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-5-14-10-11-16-17(14)12-13-6-8-15(18-2)9-7-13/h6-11H,3-5,12H2,1-2H3.
What are the key properties of 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 10083201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).