2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine

C11H15N5 — CID 62126098

IUPAC2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
SMILESCCn1cc(CC(N)c2ncccn2)cn1
InChIInChI=1S/C11H15N5/c1-2-16-8-9(7-15-16)6-10(12)11-13-4-3-5-14-11/h3-5,7-8,10H,2,6,12H2,1H3
InChIKeyXJXOBVYSXBLKTF-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.94
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine

2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 62126098) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
PubChem CID62126098
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
SMILESCCn1cc(CC(N)c2ncccn2)cn1
InChIInChI=1S/C11H15N5/c1-2-16-8-9(7-15-16)6-10(12)11-13-4-3-5-14-11/h3-5,7-8,10H,2,6,12H2,1H3
InChIKeyXJXOBVYSXBLKTF-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989978
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
2-(1-ethylpyrazol-4-yl)-1-(3-iodophenyl)ethanamine
CID 115822187
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106829887

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine (CID 62126098) is 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine is CCn1cc(CC(N)c2ncccn2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is XJXOBVYSXBLKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-16-8-9(7-15-16)6-10(12)11-13-4-3-5-14-11/h3-5,7-8,10H,2,6,12H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine?
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62126098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).