3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline

C15H15ClN4 — CID 62131334

IUPAC3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCn1cccc1CNc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H15ClN4/c1-19-9-3-5-12(19)11-17-14-7-2-6-13(16)15(14)20-10-4-8-18-20/h2-10,17H,11H2,1H3
InChIKeyLNAUAJASXUTBQA-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.48
Rot. Bonds4

About 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline

3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 62131334) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID62131334
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCn1cccc1CNc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H15ClN4/c1-19-9-3-5-12(19)11-17-14-7-2-6-13(16)15(14)20-10-4-8-18-20/h2-10,17H,11H2,1H3
InChIKeyLNAUAJASXUTBQA-UHFFFAOYSA-N
XLogP3.48
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
CID 61325153
3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877935
3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 62742484
3-chloro-N-(pyrazin-2-ylmethyl)-2-pyrazol-1-ylaniline
CID 62761834
3-chloro-N-(3-methylsulfanylpropyl)-2-pyrazol-1-ylaniline
CID 54863760
2-[(3-chloro-2-pyrazol-1-ylanilino)methyl]-2-ethylbutan-1-ol
CID 81400366
3-chloro-N-(3-methoxy-2-methylpropyl)-2-pyrazol-1-ylaniline
CID 116501170
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine
CID 66412332

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline (CID 62131334) is 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline is Cn1cccc1CNc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is LNAUAJASXUTBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-19-9-3-5-12(19)11-17-14-7-2-6-13(16)15(14)20-10-4-8-18-20/h2-10,17H,11H2,1H3.
What are the key properties of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline?
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 286.77 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 62131334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).