4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine

C14H12FN3O — CID 67605345

IUPAC4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccco2)c1Cc1ccccc1F
InChIInChI=1S/C14H12FN3O/c15-11-5-2-1-4-9(11)8-10-13(17-18-14(10)16)12-6-3-7-19-12/h1-7H,8H2,(H3,16,17,18)
InChIKeyIEORJKBYGDCXSE-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.98
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine

4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 67605345) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID67605345
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccco2)c1Cc1ccccc1F
InChIInChI=1S/C14H12FN3O/c15-11-5-2-1-4-9(11)8-10-13(17-18-14(10)16)12-6-3-7-19-12/h1-7H,8H2,(H3,16,17,18)
InChIKeyIEORJKBYGDCXSE-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1H-pyrazol-5-amine
CID 523183
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
Methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
CID 2743394
Pyrazolopyridazine 1h
CID 6538878
Pyrazolopyridazine 1o
CID 6538885
CID 46224618
CID 46224618
2-[5-(2-Furyl)-1H-pyrazol-3-yl]-5-methylphenol
CID 617642
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422
2-(5-(2H-1,2,3,4-tetrazol-5-yl)-1H-indazole-3-yl)furan
CID 22480144
2-(3-(Furan-2-YL)-1H-pyrazol-5-YL)aniline
CID 10823070

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 67605345) is 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccco2)c1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is IEORJKBYGDCXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-5-2-1-4-9(11)8-10-13(17-18-14(10)16)12-6-3-7-19-12/h1-7H,8H2,(H3,16,17,18).
What are the key properties of 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 257.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 67605345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).