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

C14H12FN3O — CID 57411901

IUPACN-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESFc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C14H12FN3O/c15-11-5-3-10(4-6-11)9-16-14-8-12(17-18-14)13-2-1-7-19-13/h1-8H,9H2,(H2,16,17,18)
InChIKeyAPFWJBHZCQADQR-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.42
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 57411901) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID57411901
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESFc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C14H12FN3O/c15-11-5-3-10(4-6-11)9-16-14-8-12(17-18-14)13-2-1-7-19-13/h1-8H,9H2,(H2,16,17,18)
InChIKeyAPFWJBHZCQADQR-UHFFFAOYSA-N
XLogP3.42
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 57411901) is N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is Fc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is APFWJBHZCQADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-5-3-10(4-6-11)9-16-14-8-12(17-18-14)13-2-1-7-19-13/h1-8H,9H2,(H2,16,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 257.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 57411901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).