5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine

C10H11FN4 — CID 61285074

IUPAC5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C10H11FN4/c11-7-3-8(12)5-10(4-7)13-6-9-1-2-14-15-9/h1-5,13H,6,12H2,(H,14,15)
InChIKeyQJAUSWIYWDXDGH-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.74
Rot. Bonds3

About 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine

5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine (PubChem CID 61285074) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
PubChem CID61285074
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C10H11FN4/c11-7-3-8(12)5-10(4-7)13-6-9-1-2-14-15-9/h1-5,13H,6,12H2,(H,14,15)
InChIKeyQJAUSWIYWDXDGH-UHFFFAOYSA-N
XLogP1.74
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 79054690
5-ethoxy-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 80730449
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662346
5-fluoro-3-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,3-diamine
CID 64546495
5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine
CID 61284873
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 62911967
5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 60876890
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline;hydrochloride
CID 171316039
3-N-[(2-bromophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 61401610
5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 60876320
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine (CID 61285074) is 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine is Nc1cc(F)cc(NCc2ccn[nH]2)c1.
What is the InChIKey of 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
The InChIKey is QJAUSWIYWDXDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-7-3-8(12)5-10(4-7)13-6-9-1-2-14-15-9/h1-5,13H,6,12H2,(H,14,15).
What are the key properties of 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine has a molecular weight of 206.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 61285074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).