N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine

C11H12FN3 — CID 176714725

IUPACN-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine
SMILESCCc1cccc(Nc2ccn[nH]2)c1F
InChIInChI=1S/C11H12FN3/c1-2-8-4-3-5-9(11(8)12)14-10-6-7-13-15-10/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeyBHMZNNNSTHDAJQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.85
Rot. Bonds3

About N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine

N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 176714725) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID176714725
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC NameN-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine
SMILESCCc1cccc(Nc2ccn[nH]2)c1F
InChIInChI=1S/C11H12FN3/c1-2-8-4-3-5-9(11(8)12)14-10-6-7-13-15-10/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeyBHMZNNNSTHDAJQ-UHFFFAOYSA-N
XLogP2.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine (CID 176714725) is N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine is CCc1cccc(Nc2ccn[nH]2)c1F.
What is the InChIKey of N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is BHMZNNNSTHDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-8-4-3-5-9(11(8)12)14-10-6-7-13-15-10/h3-7H,2H2,1H3,(H2,13,14,15).
What are the key properties of N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine?
N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 176714725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).