N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine

C13H18N4 — CID 106756922

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1ccnn1C)c1ccncc1
InChIInChI=1S/C13H18N4/c1-10(12-4-7-14-8-5-12)16-11(2)13-6-9-15-17(13)3/h4-11,16H,1-3H3
InChIKeyAVOZQGMGZDIOHN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine

N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 106756922) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID106756922
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1ccnn1C)c1ccncc1
InChIInChI=1S/C13H18N4/c1-10(12-4-7-14-8-5-12)16-11(2)13-6-9-15-17(13)3/h4-11,16H,1-3H3
InChIKeyAVOZQGMGZDIOHN-UHFFFAOYSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757173
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757976
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965
1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 106757421
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
CID 106757702
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine (CID 106756922) is N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine is CC(NC(C)c1ccnn1C)c1ccncc1.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is AVOZQGMGZDIOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(12-4-7-14-8-5-12)16-11(2)13-6-9-15-17(13)3/h4-11,16H,1-3H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 106756922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).