5-(3-cyclobutyloxyphenyl)-1H-pyrazole

C13H14N2O — CID 175709827

IUPAC5-(3-cyclobutyloxyphenyl)-1H-pyrazole
SMILESc1cc(OC2CCC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H14N2O/c1-3-10(13-7-8-14-15-13)9-12(6-1)16-11-4-2-5-11/h1,3,6-9,11H,2,4-5H2,(H,14,15)
InChIKeyICGJTXGYYQJZLN-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.01
Rot. Bonds3

About 5-(3-cyclobutyloxyphenyl)-1H-pyrazole

5-(3-cyclobutyloxyphenyl)-1H-pyrazole (PubChem CID 175709827) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(3-cyclobutyloxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-cyclobutyloxyphenyl)-1H-pyrazole
PubChem CID175709827
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(3-cyclobutyloxyphenyl)-1H-pyrazole
SMILESc1cc(OC2CCC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H14N2O/c1-3-10(13-7-8-14-15-13)9-12(6-1)16-11-4-2-5-11/h1,3,6-9,11H,2,4-5H2,(H,14,15)
InChIKeyICGJTXGYYQJZLN-UHFFFAOYSA-N
XLogP3.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
CID 43745342
6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione
CID 106522214
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139
4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
CID 66997224
5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 141365895
6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233
N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
CID 64762657
5-cycloheptyloxy-1H-pyrazole
CID 141305272
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43745344
2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
CID 114522502
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]azepan-4-amine
CID 65070382

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyloxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(3-cyclobutyloxyphenyl)-1H-pyrazole (CID 175709827) is 5-(3-cyclobutyloxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-cyclobutyloxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3-cyclobutyloxyphenyl)-1H-pyrazole is c1cc(OC2CCC2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(3-cyclobutyloxyphenyl)-1H-pyrazole?
The InChIKey is ICGJTXGYYQJZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-10(13-7-8-14-15-13)9-12(6-1)16-11-4-2-5-11/h1,3,6-9,11H,2,4-5H2,(H,14,15).
What are the key properties of 5-(3-cyclobutyloxyphenyl)-1H-pyrazole?
5-(3-cyclobutyloxyphenyl)-1H-pyrazole has a molecular weight of 214.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyloxyphenyl)-1H-pyrazole is sourced from PubChem (CID 175709827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).