5-(2-butylphenyl)-1H-pyrazole

C13H16N2 — CID 76541456

IUPAC5-(2-butylphenyl)-1H-pyrazole
SMILESCCCCc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C13H16N2/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14-15-13/h4-5,7-10H,2-3,6H2,1H3,(H,14,15)
InChIKeyMZPDNYJCDAEYCZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.42
Rot. Bonds4

About 5-(2-butylphenyl)-1H-pyrazole

5-(2-butylphenyl)-1H-pyrazole (PubChem CID 76541456) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 5-(2-butylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-butylphenyl)-1H-pyrazole
PubChem CID76541456
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name5-(2-butylphenyl)-1H-pyrazole
SMILESCCCCc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C13H16N2/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14-15-13/h4-5,7-10H,2-3,6H2,1H3,(H,14,15)
InChIKeyMZPDNYJCDAEYCZ-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-butylphenyl)pyridine
CID 11977286
12-[2-(1H-pyrazol-5-yl)phenyl]dodecane-1,5,9-triamine
CID 174955157
CID 159940559
CID 159940559
2-(2-pentylphenyl)phenol
CID 66866892
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-butyl-2-phenylbenzene;2H-tetrazole
CID 174693123
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-methyl-2-nonylbenzene;2H-triazole
CID 174954534
5-naphthalen-1-yl-1H-pyrazole
CID 174464397
2-(2-octylphenyl)pyridine
CID 15643012
5-(2-fluoro-3-methylphenyl)-1H-pyrazole
CID 83808322
gold;1-pentyl-2-phenylbenzene
CID 174945702

Frequently Asked Questions

What is the IUPAC name of 5-(2-butylphenyl)-1H-pyrazole?
The IUPAC name of 5-(2-butylphenyl)-1H-pyrazole (CID 76541456) is 5-(2-butylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-butylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-butylphenyl)-1H-pyrazole is CCCCc1ccccc1-c1ccn[nH]1.
What is the InChIKey of 5-(2-butylphenyl)-1H-pyrazole?
The InChIKey is MZPDNYJCDAEYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14-15-13/h4-5,7-10H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-(2-butylphenyl)-1H-pyrazole?
5-(2-butylphenyl)-1H-pyrazole has a molecular weight of 200.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butylphenyl)-1H-pyrazole is sourced from PubChem (CID 76541456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).