N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine

C17H16FN3 — CID 60809806

IUPACN-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NC(c2ccccc2)c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3/c1-21-12-11-16(20-21)19-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-12,17H,1H3,(H,19,20)
InChIKeyBIGLUSVIUYJOMG-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine

N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine (PubChem CID 60809806) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine
PubChem CID60809806
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NC(c2ccccc2)c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3/c1-21-12-11-16(20-21)19-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-12,17H,1H3,(H,19,20)
InChIKeyBIGLUSVIUYJOMG-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine (CID 60809806) is N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine is Cn1ccc(NC(c2ccccc2)c2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine?
The InChIKey is BIGLUSVIUYJOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21-12-11-16(20-21)19-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-12,17H,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine?
N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine has a molecular weight of 281.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60809806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).