N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline

C13H16ClN3 — CID 55088760

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline
SMILESCc1nn(CCNc2ccccc2)c(C)c1Cl
InChIInChI=1S/C13H16ClN3/c1-10-13(14)11(2)17(16-10)9-8-15-12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3
InChIKeyOJHIBIMMGDORKH-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline (PubChem CID 55088760) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline
PubChem CID55088760
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline
SMILESCc1nn(CCNc2ccccc2)c(C)c1Cl
InChIInChI=1S/C13H16ClN3/c1-10-13(14)11(2)17(16-10)9-8-15-12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3
InChIKeyOJHIBIMMGDORKH-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62567609
4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 62566398
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
CID 62128524
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695331
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 16877071
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea
CID 17297927
(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19295398
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
CID 62565084
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62565277
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324521

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline (CID 55088760) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline is Cc1nn(CCNc2ccccc2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The InChIKey is OJHIBIMMGDORKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-10-13(14)11(2)17(16-10)9-8-15-12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline has a molecular weight of 249.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline is sourced from PubChem (CID 55088760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).