N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine

C17H16FN3O — CID 141149121

IUPACN-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine
SMILESCc1cc(Nc2cn[nH]c2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C17H16FN3O/c1-12-7-15(21-16-9-19-20-10-16)5-6-17(12)22-11-13-3-2-4-14(18)8-13/h2-10,21H,11H2,1H3,(H,19,20)
InChIKeyNLZWJTQOAQRICD-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.18
Rot. Bonds5

About N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine

N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine (PubChem CID 141149121) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine
PubChem CID141149121
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine
SMILESCc1cc(Nc2cn[nH]c2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C17H16FN3O/c1-12-7-15(21-16-9-19-20-10-16)5-6-17(12)22-11-13-3-2-4-14(18)8-13/h2-10,21H,11H2,1H3,(H,19,20)
InChIKeyNLZWJTQOAQRICD-UHFFFAOYSA-N
XLogP4.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine (CID 141149121) is N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine is Cc1cc(Nc2cn[nH]c2)ccc1OCc1cccc(F)c1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine?
The InChIKey is NLZWJTQOAQRICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12-7-15(21-16-9-19-20-10-16)5-6-17(12)22-11-13-3-2-4-14(18)8-13/h2-10,21H,11H2,1H3,(H,19,20).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine?
N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine has a molecular weight of 297.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 141149121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).