1-(1,4,5-trimethylpyrazol-3-yl)ethanamine

C8H15N3 — CID 82595274

IUPAC1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
SMILESCc1c(C(C)N)nn(C)c1C
InChIInChI=1S/C8H15N3/c1-5-7(3)11(4)10-8(5)6(2)9/h6H,9H2,1-4H3
InChIKeyKOFBLOCXTCDCHQ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.06
Rot. Bonds1

About 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine

1-(1,4,5-trimethylpyrazol-3-yl)ethanamine (PubChem CID 82595274) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
PubChem CID82595274
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
SMILESCc1c(C(C)N)nn(C)c1C
InChIInChI=1S/C8H15N3/c1-5-7(3)11(4)10-8(5)6(2)9/h6H,9H2,1-4H3
InChIKeyKOFBLOCXTCDCHQ-UHFFFAOYSA-N
XLogP1.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethyltriazol-4-yl)ethanamine
CID 82594205
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 96738058
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
CID 130454077
3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride
CID 132586025
1-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83831978
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 82542015
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
CID 130573982
1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine
CID 105471767
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine (CID 82595274) is 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine is Cc1c(C(C)N)nn(C)c1C.
What is the InChIKey of 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine?
The InChIKey is KOFBLOCXTCDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-7(3)11(4)10-8(5)6(2)9/h6H,9H2,1-4H3.
What are the key properties of 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine?
1-(1,4,5-trimethylpyrazol-3-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5-trimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82595274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).