4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine

C13H15N5 — CID 117355369

IUPAC4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESCN1CCN=C1c1ccccc1-c1cn[nH]c1N
InChIInChI=1S/C13H15N5/c1-18-7-6-15-13(18)10-5-3-2-4-9(10)11-8-16-17-12(11)14/h2-5,8H,6-7H2,1H3,(H3,14,16,17)
InChIKeyQXXHKMSXYVHCKM-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.35
Rot. Bonds2

About 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine

4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117355369) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID117355369
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESCN1CCN=C1c1ccccc1-c1cn[nH]c1N
InChIInChI=1S/C13H15N5/c1-18-7-6-15-13(18)10-5-3-2-4-9(10)11-8-16-17-12(11)14/h2-5,8H,6-7H2,1H3,(H3,14,16,17)
InChIKeyQXXHKMSXYVHCKM-UHFFFAOYSA-N
XLogP1.35
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine (CID 117355369) is 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine is CN1CCN=C1c1ccccc1-c1cn[nH]c1N.
What is the InChIKey of 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is QXXHKMSXYVHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-18-7-6-15-13(18)10-5-3-2-4-9(10)11-8-16-17-12(11)14/h2-5,8H,6-7H2,1H3,(H3,14,16,17).
What are the key properties of 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine?
4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117355369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).