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

C7H12ClN3 — CID 6484254

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CCN)c(C)c1Cl
InChIInChI=1S/C7H12ClN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChIKeyPFJTZFXCKUWHFQ-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.11
Rot. Bonds2

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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 6484254) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID6484254
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CCN)c(C)c1Cl
InChIInChI=1S/C7H12ClN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChIKeyPFJTZFXCKUWHFQ-UHFFFAOYSA-N
XLogP1.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine (CID 6484254) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine is Cc1nn(CCN)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is PFJTZFXCKUWHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 173.65 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 6484254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).