2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride

C8H15Cl2N3 — CID 165453460

IUPAC2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
SMILESCCn1nccc1C1CC1N.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-2-11-8(3-4-10-11)6-5-7(6)9;;/h3-4,6-7H,2,5,9H2,1H3;2*1H
InChIKeyZHYIEKSRBGREHC-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride

2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride (PubChem CID 165453460) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
PubChem CID165453460
Molecular FormulaC8H15Cl2N3
Molecular Weight224.14 g/mol
Exact Mass223.06
IUPAC Name2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
SMILESCCn1nccc1C1CC1N.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-2-11-8(3-4-10-11)6-5-7(6)9;;/h3-4,6-7H,2,5,9H2,1H3;2*1H
InChIKeyZHYIEKSRBGREHC-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride (CID 165453460) is 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride is CCn1nccc1C1CC1N.Cl.Cl.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is ZHYIEKSRBGREHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-2-11-8(3-4-10-11)6-5-7(6)9;;/h3-4,6-7H,2,5,9H2,1H3;2*1H.
What are the key properties of 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride?
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 224.14 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 165453460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).