4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine

C16H22FN3 — CID 63525723

IUPAC4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
SMILESCCCCCCCc1[nH]nc(N)c1-c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-2-3-4-5-6-11-14-15(16(18)20-19-14)12-9-7-8-10-13(12)17/h7-10H,2-6,11H2,1H3,(H3,18,19,20)
InChIKeyNNMFKEMQORBKKY-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.31
Rot. Bonds7

About 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine

4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine (PubChem CID 63525723) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
PubChem CID63525723
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
SMILESCCCCCCCc1[nH]nc(N)c1-c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-2-3-4-5-6-11-14-15(16(18)20-19-14)12-9-7-8-10-13(12)17/h7-10H,2-6,11H2,1H3,(H3,18,19,20)
InChIKeyNNMFKEMQORBKKY-UHFFFAOYSA-N
XLogP4.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine (CID 63525723) is 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine is CCCCCCCc1[nH]nc(N)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine?
The InChIKey is NNMFKEMQORBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-3-4-5-6-11-14-15(16(18)20-19-14)12-9-7-8-10-13(12)17/h7-10H,2-6,11H2,1H3,(H3,18,19,20).
What are the key properties of 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine?
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine has a molecular weight of 275.37 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63525723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).