2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine

C10H12FN3 — CID 13309520

IUPAC2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine
SMILESCC1CC(N)=NN1c1cccc(F)c1
InChIInChI=1S/C10H12FN3/c1-7-5-10(12)13-14(7)9-4-2-3-8(11)6-9/h2-4,6-7H,5H2,1H3,(H2,12,13)
InChIKeyWPARPVNIQKZUAB-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.70
Rot. Bonds1

About 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine

2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine (PubChem CID 13309520) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine
PubChem CID13309520
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine
SMILESCC1CC(N)=NN1c1cccc(F)c1
InChIInChI=1S/C10H12FN3/c1-7-5-10(12)13-14(7)9-4-2-3-8(11)6-9/h2-4,6-7H,5H2,1H3,(H2,12,13)
InChIKeyWPARPVNIQKZUAB-UHFFFAOYSA-N
XLogP1.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine (CID 13309520) is 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine is CC1CC(N)=NN1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine?
The InChIKey is WPARPVNIQKZUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-7-5-10(12)13-14(7)9-4-2-3-8(11)6-9/h2-4,6-7H,5H2,1H3,(H2,12,13).
What are the key properties of 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine?
2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine has a molecular weight of 193.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 13309520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).