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

C13H14FN5 — CID 12763818

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(NC2=NCCN2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN5/c1-9-8-12(17-13-15-6-7-16-13)19(18-9)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyDVCCIWLPQXCNAW-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.69
Rot. Bonds2

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

N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine (PubChem CID 12763818) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine
PubChem CID12763818
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(NC2=NCCN2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN5/c1-9-8-12(17-13-15-6-7-16-13)19(18-9)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyDVCCIWLPQXCNAW-UHFFFAOYSA-N
XLogP1.69
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
4-(3-Fluoro-phenylazo)-1-phenyl-1H-pyrazole-3,5-diamine
CID 3343493
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
3-methyl-N,1-diphenyl-1H-pyrazol-5-amine
CID 867748
4-[(2-fluorophenyl)diazenyl]-1-phenyl-1H-pyrazole-3,5-diamine
CID 1494776
5-Methyl-2-phenyl-4-phenylazo-2H-pyrazol-3-ylamine
CID 3112358
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenyl-1H-tetrazol-5-amine
CID 1944626
N-(2,4-difluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 2811437

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine (CID 12763818) is N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine is Cc1cc(NC2=NCCN2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine?
The InChIKey is DVCCIWLPQXCNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-9-8-12(17-13-15-6-7-16-13)19(18-9)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine has a molecular weight of 259.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 12763818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).