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

C12H11FN4 — CID 57398577

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole
SMILESFc1cccc(-n2cc(C3=NCCN3)cn2)c1
InChIInChI=1S/C12H11FN4/c13-10-2-1-3-11(6-10)17-8-9(7-16-17)12-14-4-5-15-12/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyJDXRXUIYVPDJKR-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.36
Rot. Bonds2

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

4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole (PubChem CID 57398577) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole
PubChem CID57398577
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole
SMILESFc1cccc(-n2cc(C3=NCCN3)cn2)c1
InChIInChI=1S/C12H11FN4/c13-10-2-1-3-11(6-10)17-8-9(7-16-17)12-14-4-5-15-12/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyJDXRXUIYVPDJKR-UHFFFAOYSA-N
XLogP1.36
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-pyrazol-4-amine
CID 121021
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
2-(1H-pyrazol-1-yl)aniline
CID 2779710
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-3-yl)aniline
CID 9816515
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methylpyrazol-3-yl)aniline
CID 9837963
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethylpyrazol-3-yl)aniline
CID 9838294
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline
CID 10221066
N-(1-Imidazoline-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-yl]aniline
CID 22493344
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
CID 22493381
5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135600410

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole (CID 57398577) is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole is Fc1cccc(-n2cc(C3=NCCN3)cn2)c1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole?
The InChIKey is JDXRXUIYVPDJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c13-10-2-1-3-11(6-10)17-8-9(7-16-17)12-14-4-5-15-12/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole?
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole has a molecular weight of 230.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-fluorophenyl)pyrazole is sourced from PubChem (CID 57398577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).