2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine

C13H14ClN5 — CID 12763826

IUPAC2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(NC2=NCCN2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN5/c1-9-7-12(17-13-15-5-6-16-13)19(18-9)11-4-2-3-10(14)8-11/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17)
InChIKeyAWUFTMODMFQLAT-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.21
Rot. Bonds2

About 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine

2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine (PubChem CID 12763826) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine
PubChem CID12763826
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(NC2=NCCN2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN5/c1-9-7-12(17-13-15-5-6-16-13)19(18-9)11-4-2-3-10(14)8-11/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17)
InChIKeyAWUFTMODMFQLAT-UHFFFAOYSA-N
XLogP2.21
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine (CID 12763826) is 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine is Cc1cc(NC2=NCCN2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine?
The InChIKey is AWUFTMODMFQLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-9-7-12(17-13-15-5-6-16-13)19(18-9)11-4-2-3-10(14)8-11/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine?
2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine has a molecular weight of 275.74 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 12763826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).