3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline

C14H14ClN5 — CID 62742484

IUPAC3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1[nH]cnc1CNc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H14ClN5/c1-10-13(18-9-17-10)8-16-12-5-2-4-11(15)14(12)20-7-3-6-19-20/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyZHUUMFUHWRNRLM-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.17
Rot. Bonds4

About 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline

3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 62742484) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID62742484
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1[nH]cnc1CNc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H14ClN5/c1-10-13(18-9-17-10)8-16-12-5-2-4-11(15)14(12)20-7-3-6-19-20/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyZHUUMFUHWRNRLM-UHFFFAOYSA-N
XLogP3.17
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
3-chloro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62747617
3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
CID 61325153
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62131334
3-chloro-N-(pyrazin-2-ylmethyl)-2-pyrazol-1-ylaniline
CID 62761834
2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62741383
3-chloro-N-(3-methylsulfanylpropyl)-2-pyrazol-1-ylaniline
CID 54863760
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
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
2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine
CID 62741938

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline (CID 62742484) is 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline is Cc1[nH]cnc1CNc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is ZHUUMFUHWRNRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-10-13(18-9-17-10)8-16-12-5-2-4-11(15)14(12)20-7-3-6-19-20/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 287.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 62742484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).