4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile

C14H13N3O — CID 69173093

IUPAC4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile
SMILESCc1cc(Oc2cn[nH]c2C2CC2)ccc1C#N
InChIInChI=1S/C14H13N3O/c1-9-6-12(5-4-11(9)7-15)18-13-8-16-17-14(13)10-2-3-10/h4-6,8,10H,2-3H2,1H3,(H,16,17)
InChIKeyCRSZCFPRGKTWOF-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.26
Rot. Bonds3

About 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile

4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile (PubChem CID 69173093) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile
PubChem CID69173093
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile
SMILESCc1cc(Oc2cn[nH]c2C2CC2)ccc1C#N
InChIInChI=1S/C14H13N3O/c1-9-6-12(5-4-11(9)7-15)18-13-8-16-17-14(13)10-2-3-10/h4-6,8,10H,2-3H2,1H3,(H,16,17)
InChIKeyCRSZCFPRGKTWOF-UHFFFAOYSA-N
XLogP3.26
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methyl-5-nitrophenoxy)benzonitrile
CID 81282527
2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752
4-(2-bromo-4-methylphenoxy)-2-methylbenzonitrile
CID 81273096
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
CID 103174716
4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305741
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
CID 114252551
2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile
CID 68914074
4-(2-tert-butyl-5-methylphenoxy)-2-methylbenzonitrile
CID 81273121

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile (CID 69173093) is 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile is Cc1cc(Oc2cn[nH]c2C2CC2)ccc1C#N.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile?
The InChIKey is CRSZCFPRGKTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-6-12(5-4-11(9)7-15)18-13-8-16-17-14(13)10-2-3-10/h4-6,8,10H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile?
4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile has a molecular weight of 239.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile is sourced from PubChem (CID 69173093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).