2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile

C14H15ClN4 — CID 65191967

IUPAC2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
SMILESCc1nn(C)cc1C(C)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C14H15ClN4/c1-9(13-8-19(3)18-10(13)2)17-12-4-5-14(15)11(6-12)7-16/h4-6,8-9,17H,1-3H3
InChIKeyPFOFNQPNQFGJCF-UHFFFAOYSA-N
MW274.76 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile

2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile (PubChem CID 65191967) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
PubChem CID65191967
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
SMILESCc1nn(C)cc1C(C)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C14H15ClN4/c1-9(13-8-19(3)18-10(13)2)17-12-4-5-14(15)11(6-12)7-16/h4-6,8-9,17H,1-3H3
InChIKeyPFOFNQPNQFGJCF-UHFFFAOYSA-N
XLogP3.43
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile?
The IUPAC name of 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile (CID 65191967) is 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile is Cc1nn(C)cc1C(C)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile?
The InChIKey is PFOFNQPNQFGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-9(13-8-19(3)18-10(13)2)17-12-4-5-14(15)11(6-12)7-16/h4-6,8-9,17H,1-3H3.
What are the key properties of 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile?
2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile has a molecular weight of 274.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile is sourced from PubChem (CID 65191967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).