N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine

C12H17N5 — CID 63989998

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccncn1
InChIInChI=1S/C12H17N5/c1-3-14-12(11-4-5-13-9-15-11)6-10-7-16-17(2)8-10/h4-5,7-9,12,14H,3,6H2,1-2H3
InChIKeyQICNBAOYSPQPIA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.10
Rot. Bonds5

About N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine

N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine (PubChem CID 63989998) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
PubChem CID63989998
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccncn1
InChIInChI=1S/C12H17N5/c1-3-14-12(11-4-5-13-9-15-11)6-10-7-16-17(2)8-10/h4-5,7-9,12,14H,3,6H2,1-2H3
InChIKeyQICNBAOYSPQPIA-UHFFFAOYSA-N
XLogP1.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 103444657
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 106849241
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821661
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine (CID 63989998) is N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine is CCNC(Cc1cnn(C)c1)c1ccncn1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
The InChIKey is QICNBAOYSPQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-14-12(11-4-5-13-9-15-11)6-10-7-16-17(2)8-10/h4-5,7-9,12,14H,3,6H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63989998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).