1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

C22H23N5 — CID 45214362

IUPAC1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESCc1c(C(C)NCc2cccn2-c2cccnc2)cnn1-c1ccccc1
InChIInChI=1S/C22H23N5/c1-17(22-16-25-27(18(22)2)19-8-4-3-5-9-19)24-15-21-11-7-13-26(21)20-10-6-12-23-14-20/h3-14,16-17,24H,15H2,1-2H3
InChIKeyJHVFRZOXLKAUPB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.22
Rot. Bonds6

About 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (PubChem CID 45214362) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
PubChem CID45214362
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESCc1c(C(C)NCc2cccn2-c2cccnc2)cnn1-c1ccccc1
InChIInChI=1S/C22H23N5/c1-17(22-16-25-27(18(22)2)19-8-4-3-5-9-19)24-15-21-11-7-13-26(21)20-10-6-12-23-14-20/h3-14,16-17,24H,15H2,1-2H3
InChIKeyJHVFRZOXLKAUPB-UHFFFAOYSA-N
XLogP4.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (CID 45214362) is 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is Cc1c(C(C)NCc2cccn2-c2cccnc2)cnn1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is JHVFRZOXLKAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-17(22-16-25-27(18(22)2)19-8-4-3-5-9-19)24-15-21-11-7-13-26(21)20-10-6-12-23-14-20/h3-14,16-17,24H,15H2,1-2H3.
What are the key properties of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 357.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 45214362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).