1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine

C23H22N4 — CID 167836777

IUPAC1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(-c2ccncc2)cc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C23H22N4/c1-18(23-13-16-26-27(23)22-5-3-2-4-6-22)25-17-19-7-9-20(10-8-19)21-11-14-24-15-12-21/h2-16,18,25H,17H2,1H3
InChIKeyVQPMXOQMDZWHBO-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.79
Rot. Bonds6

About 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine

1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine (PubChem CID 167836777) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
PubChem CID167836777
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(-c2ccncc2)cc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C23H22N4/c1-18(23-13-16-26-27(23)22-5-3-2-4-6-22)25-17-19-7-9-20(10-8-19)21-11-14-24-15-12-21/h2-16,18,25H,17H2,1H3
InChIKeyVQPMXOQMDZWHBO-UHFFFAOYSA-N
XLogP4.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
CID 110009844
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine
CID 107331089
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107331506
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 124624668
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 25384796

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine (CID 167836777) is 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine is CC(NCc1ccc(-c2ccncc2)cc1)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine?
The InChIKey is VQPMXOQMDZWHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-18(23-13-16-26-27(23)22-5-3-2-4-6-22)25-17-19-7-9-20(10-8-19)21-11-14-24-15-12-21/h2-16,18,25H,17H2,1H3.
What are the key properties of 1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine?
1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine has a molecular weight of 354.46 g/mol, XLogP of 4.79, 6 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)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 167836777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).