2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine

C14H18ClN3 — CID 114057518

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine
SMILESCc1ccc(-n2nc(C)c(Cl)c2C)c(CCN)c1
InChIInChI=1S/C14H18ClN3/c1-9-4-5-13(12(8-9)6-7-16)18-11(3)14(15)10(2)17-18/h4-5,8H,6-7,16H2,1-3H3
InChIKeyIFLUSYNYRFDIRX-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.95
Rot. Bonds3

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine (PubChem CID 114057518) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine
PubChem CID114057518
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine
SMILESCc1ccc(-n2nc(C)c(Cl)c2C)c(CCN)c1
InChIInChI=1S/C14H18ClN3/c1-9-4-5-13(12(8-9)6-7-16)18-11(3)14(15)10(2)17-18/h4-5,8H,6-7,16H2,1-3H3
InChIKeyIFLUSYNYRFDIRX-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63816940
4-chloro-1-[4-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846877
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 62130850
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844627
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 116818013
2-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 80634263
(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 78937665
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
1-[3-bromo-4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 55130541
[2-(4-chloro-3-methylpyrazol-1-yl)-5-methylphenyl]methanamine
CID 107926419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine (CID 114057518) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine is Cc1ccc(-n2nc(C)c(Cl)c2C)c(CCN)c1.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine?
The InChIKey is IFLUSYNYRFDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-4-5-13(12(8-9)6-7-16)18-11(3)14(15)10(2)17-18/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine is sourced from PubChem (CID 114057518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).