4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile

C18H14ClN3O — CID 165123275

IUPAC4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile
SMILESCn1nccc1-c1c(C#N)c(OC2CC2)c2ccccc2c1Cl
InChIInChI=1S/C18H14ClN3O/c1-22-15(8-9-21-22)16-14(10-20)18(23-11-6-7-11)13-5-3-2-4-12(13)17(16)19/h2-5,8-9,11H,6-7H2,1H3
InChIKeyOODLYRFPGSXVPM-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.31
Rot. Bonds3

About 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile

4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile (PubChem CID 165123275) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile
PubChem CID165123275
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile
SMILESCn1nccc1-c1c(C#N)c(OC2CC2)c2ccccc2c1Cl
InChIInChI=1S/C18H14ClN3O/c1-22-15(8-9-21-22)16-14(10-20)18(23-11-6-7-11)13-5-3-2-4-12(13)17(16)19/h2-5,8-9,11H,6-7H2,1H3
InChIKeyOODLYRFPGSXVPM-UHFFFAOYSA-N
XLogP4.31
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile?
The IUPAC name of 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile (CID 165123275) is 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile.
What is the SMILES notation for 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile?
The canonical SMILES for 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile is Cn1nccc1-c1c(C#N)c(OC2CC2)c2ccccc2c1Cl.
What is the InChIKey of 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile?
The InChIKey is OODLYRFPGSXVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-22-15(8-9-21-22)16-14(10-20)18(23-11-6-7-11)13-5-3-2-4-12(13)17(16)19/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile?
4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile has a molecular weight of 323.78 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyloxy-3-(2-methylpyrazol-3-yl)naphthalene-2-carbonitrile is sourced from PubChem (CID 165123275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).