4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine

C12H12FN5 — CID 57403788

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine
SMILESNc1c(C2=NCCN2)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H12FN5/c13-8-2-1-3-9(6-8)18-11(14)10(7-17-18)12-15-4-5-16-12/h1-3,6-7H,4-5,14H2,(H,15,16)
InChIKeyAQGHNCPOQIXXNU-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.94
Rot. Bonds2

About 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine

4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine (PubChem CID 57403788) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine
PubChem CID57403788
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine
SMILESNc1c(C2=NCCN2)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H12FN5/c13-8-2-1-3-9(6-8)18-11(14)10(7-17-18)12-15-4-5-16-12/h1-3,6-7H,4-5,14H2,(H,15,16)
InChIKeyAQGHNCPOQIXXNU-UHFFFAOYSA-N
XLogP0.94
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.94
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-(3-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine (CID 57403788) is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine is Nc1c(C2=NCCN2)cnn1-c1cccc(F)c1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine?
The InChIKey is AQGHNCPOQIXXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c13-8-2-1-3-9(6-8)18-11(14)10(7-17-18)12-15-4-5-16-12/h1-3,6-7H,4-5,14H2,(H,15,16).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine?
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazol-5-amine has a molecular weight of 245.26 g/mol, XLogP of 0.94, 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-(3-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 57403788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).