2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine

C11H14FN3O — CID 20511335

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
SMILESCOc1ccc(CN2CCC(N)=N2)cc1F
InChIInChI=1S/C11H14FN3O/c1-16-10-3-2-8(6-9(10)12)7-15-5-4-11(13)14-15/h2-3,6H,4-5,7H2,1H3,(H2,13,14)
InChIKeyBACFVBZFCFAOIQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.31
Rot. Bonds3

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine

2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine (PubChem CID 20511335) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
PubChem CID20511335
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
SMILESCOc1ccc(CN2CCC(N)=N2)cc1F
InChIInChI=1S/C11H14FN3O/c1-16-10-3-2-8(6-9(10)12)7-15-5-4-11(13)14-15/h2-3,6H,4-5,7H2,1H3,(H2,13,14)
InChIKeyBACFVBZFCFAOIQ-UHFFFAOYSA-N
XLogP1.31
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511328
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
CID 65096444
8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55148889
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64883584
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
CID 58054511
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypiperidine-4-carboxylic acid
CID 56896082
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine (CID 20511335) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine is COc1ccc(CN2CCC(N)=N2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The InChIKey is BACFVBZFCFAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-16-10-3-2-8(6-9(10)12)7-15-5-4-11(13)14-15/h2-3,6H,4-5,7H2,1H3,(H2,13,14).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine has a molecular weight of 223.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 20511335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).