(2-ethylpyrazol-3-yl)methylazanium

C6H12N3+ — CID 7176049

IUPAC(2-ethylpyrazol-3-yl)methylazanium
SMILESCCn1nccc1C[NH3+]
InChIInChI=1S/C6H11N3/c1-2-9-6(5-7)3-4-8-9/h3-4H,2,5,7H2,1H3/p+1
InChIKeyVBRQKQJNZFDLDO-UHFFFAOYSA-O
MW126.18 g/mol
LogP-0.36
Rot. Bonds2

About (2-ethylpyrazol-3-yl)methylazanium

(2-ethylpyrazol-3-yl)methylazanium (PubChem CID 7176049) has the molecular formula C6H12N3+ and a molecular weight of 126.18 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)methylazanium.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)methylazanium
PubChem CID7176049
Molecular FormulaC6H12N3+
Molecular Weight126.18 g/mol
Exact Mass126.10
IUPAC Name(2-ethylpyrazol-3-yl)methylazanium
SMILESCCn1nccc1C[NH3+]
InChIInChI=1S/C6H11N3/c1-2-9-6(5-7)3-4-8-9/h3-4H,2,5,7H2,1H3/p+1
InChIKeyVBRQKQJNZFDLDO-UHFFFAOYSA-O
XLogP-0.36
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chloroethyl)-1-ethylpyrazole
CID 63974716
(2-ethylpyrazol-3-yl)methanesulfonic acid
CID 175919562
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine
CID 64666450
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
CID 175896665
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 130719022
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 115761620

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)methylazanium?
The IUPAC name of (2-ethylpyrazol-3-yl)methylazanium (CID 7176049) is (2-ethylpyrazol-3-yl)methylazanium.
What is the SMILES notation for (2-ethylpyrazol-3-yl)methylazanium?
The canonical SMILES for (2-ethylpyrazol-3-yl)methylazanium is CCn1nccc1C[NH3+].
What is the InChIKey of (2-ethylpyrazol-3-yl)methylazanium?
The InChIKey is VBRQKQJNZFDLDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N3/c1-2-9-6(5-7)3-4-8-9/h3-4H,2,5,7H2,1H3/p+1.
What are the key properties of (2-ethylpyrazol-3-yl)methylazanium?
(2-ethylpyrazol-3-yl)methylazanium has a molecular weight of 126.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)methylazanium is sourced from PubChem (CID 7176049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).