2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile

C16H14ClN3O — CID 68914074

IUPAC2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2c(C3CC3)n[nH]c2C2CC2)cc1Cl
InChIInChI=1S/C16H14ClN3O/c17-13-7-12(6-5-11(13)8-18)21-16-14(9-1-2-9)19-20-15(16)10-3-4-10/h5-7,9-10H,1-4H2,(H,19,20)
InChIKeyJUUOKFWSIXNFIN-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.48
Rot. Bonds4

About 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile

2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile (PubChem CID 68914074) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile
PubChem CID68914074
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2c(C3CC3)n[nH]c2C2CC2)cc1Cl
InChIInChI=1S/C16H14ClN3O/c17-13-7-12(6-5-11(13)8-18)21-16-14(9-1-2-9)19-20-15(16)10-3-4-10/h5-7,9-10H,1-4H2,(H,19,20)
InChIKeyJUUOKFWSIXNFIN-UHFFFAOYSA-N
XLogP4.48
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-chloro-4-cyanophenoxy)-3-cyclopropyl-1-methylsulfonylpyrazole-5-carboxylate
CID 159199467
4-[[3,5-bis(cyclopropylmethylsulfonylmethyl)-1H-pyrazol-4-yl]oxy]-2-chlorobenzonitrile
CID 69265122
2-chloro-4-[(3-cyclopropyl-5-iodo-4,5-dihydro-1H-pyrazol-4-yl)oxy]benzonitrile
CID 89224664
4-(4-aminophenoxy)-2-chlorobenzonitrile
CID 62945049
4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile
CID 69173093
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077623
2-chloro-4-[4-(1-methylpyrazol-3-yl)cyclohexyl]oxybenzonitrile
CID 134413704
(3-chloro-4-cyanophenyl) hypoiodite
CID 166981251
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
2-chloro-4-[4-cyclopropyl-3-(2,2,6,6-tetramethyl-3,5-dioxooxan-4-yl)phenoxy]benzonitrile
CID 123452764
4-[4-(bromomethyl)-3-chlorophenoxy]-2-chlorobenzonitrile
CID 66697120
2-chloro-8-[(3-cyclopropyl-2H-indazol-5-yl)oxy]-4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166722533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile (CID 68914074) is 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile is N#Cc1ccc(Oc2c(C3CC3)n[nH]c2C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile?
The InChIKey is JUUOKFWSIXNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-7-12(6-5-11(13)8-18)21-16-14(9-1-2-9)19-20-15(16)10-3-4-10/h5-7,9-10H,1-4H2,(H,19,20).
What are the key properties of 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile?
2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile has a molecular weight of 299.76 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,5-dicyclopropyl-1H-pyrazol-4-yl)oxy]benzonitrile is sourced from PubChem (CID 68914074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).