4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine

C13H15N5 — CID 4780564

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2ncc(C3=NCCN3)c2N)cc1
InChIInChI=1S/C13H15N5/c1-9-2-4-10(5-3-9)18-12(14)11(8-17-18)13-15-6-7-16-13/h2-5,8H,6-7,14H2,1H3,(H,15,16)
InChIKeyREACXROHQHSLOQ-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.11
Rot. Bonds2

About 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine

4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine (PubChem CID 4780564) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine
PubChem CID4780564
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2ncc(C3=NCCN3)c2N)cc1
InChIInChI=1S/C13H15N5/c1-9-2-4-10(5-3-9)18-12(14)11(8-17-18)13-15-6-7-16-13/h2-5,8H,6-7,14H2,1H3,(H,15,16)
InChIKeyREACXROHQHSLOQ-UHFFFAOYSA-N
XLogP1.11
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine (CID 4780564) is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-n2ncc(C3=NCCN3)c2N)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is REACXROHQHSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-2-4-10(5-3-9)18-12(14)11(8-17-18)13-15-6-7-16-13/h2-5,8H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine?
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 4780564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).