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

C10H12FN3 — CID 15580676

IUPAC2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine
SMILESCC1CN(c2cccc(F)c2)N=C1N
InChIInChI=1S/C10H12FN3/c1-7-6-14(13-10(7)12)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyPQVMISYUIYPKPT-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.55
Rot. Bonds1

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

2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine (PubChem CID 15580676) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine
PubChem CID15580676
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine
SMILESCC1CN(c2cccc(F)c2)N=C1N
InChIInChI=1S/C10H12FN3/c1-7-6-14(13-10(7)12)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyPQVMISYUIYPKPT-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine (CID 15580676) is 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine is CC1CN(c2cccc(F)c2)N=C1N.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine?
The InChIKey is PQVMISYUIYPKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-7-6-14(13-10(7)12)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine?
2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine has a molecular weight of 193.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 15580676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).