N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine

C13H16FN3 — CID 71846203

IUPACN-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3/c1-2-7-17-10-13(9-16-17)15-8-11-3-5-12(14)6-4-11/h3-6,9-10,15H,2,7-8H2,1H3
InChIKeyPQISZPQPUZNXFD-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine

N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine (PubChem CID 71846203) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine
PubChem CID71846203
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3/c1-2-7-17-10-13(9-16-17)15-8-11-3-5-12(14)6-4-11/h3-6,9-10,15H,2,7-8H2,1H3
InChIKeyPQISZPQPUZNXFD-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine (CID 71846203) is N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine is CCCn1cc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine?
The InChIKey is PQISZPQPUZNXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-7-17-10-13(9-16-17)15-8-11-3-5-12(14)6-4-11/h3-6,9-10,15H,2,7-8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine?
N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine has a molecular weight of 233.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 71846203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).