1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine

C16H16N4 — CID 107330584

IUPAC1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H16N4/c17-15(11-13-5-4-9-18-12-13)16-8-10-19-20(16)14-6-2-1-3-7-14/h1-10,12,15H,11,17H2
InChIKeyQKDJSDBUTWKYLW-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine

1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine (PubChem CID 107330584) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
PubChem CID107330584
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H16N4/c17-15(11-13-5-4-9-18-12-13)16-8-10-19-20(16)14-6-2-1-3-7-14/h1-10,12,15H,11,17H2
InChIKeyQKDJSDBUTWKYLW-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107332163
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330598
4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332084
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(1-amino-2-pyridin-3-ylethyl)phosphonic acid
CID 15083562
1-(1H-indol-3-yl)-2-pyridin-3-ylethanamine
CID 130286276
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine (CID 107330584) is 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine is NC(Cc1cccnc1)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine?
The InChIKey is QKDJSDBUTWKYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-15(11-13-5-4-9-18-12-13)16-8-10-19-20(16)14-6-2-1-3-7-14/h1-10,12,15H,11,17H2.
What are the key properties of 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine?
1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 107330584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).