3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine

C7H14FN5 — CID 66897397

IUPAC3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine
SMILESCNCCCn1nc(F)c(N)c1N
InChIInChI=1S/C7H14FN5/c1-11-3-2-4-13-7(10)5(9)6(8)12-13/h11H,2-4,9-10H2,1H3
InChIKeyZHEBAZAKPQQOIF-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.20
Rot. Bonds4

About 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine

3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine (PubChem CID 66897397) has the molecular formula C7H14FN5 and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine
PubChem CID66897397
Molecular FormulaC7H14FN5
Molecular Weight187.22 g/mol
Exact Mass187.12
IUPAC Name3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine
SMILESCNCCCn1nc(F)c(N)c1N
InChIInChI=1S/C7H14FN5/c1-11-3-2-4-13-7(10)5(9)6(8)12-13/h11H,2-4,9-10H2,1H3
InChIKeyZHEBAZAKPQQOIF-UHFFFAOYSA-N
XLogP-0.20
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine
CID 66769884
3-Fluoro-1-octylpyrazole-4,5-diamine
CID 66769921
2-(4,5-Diamino-3-fluoropyrazol-1-yl)ethanol
CID 66770044
3-Fluoro-1-methylpyrazole-4,5-diamine
CID 66897439
1-[3-(dimethylamino)propyl]-3-fluoro-4-N,4-N-dimethylpyrazole-4,5-diamine
CID 66897663
1-cyclohexyl-3-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine
CID 66897729
1-[3-(dimethylamino)propyl]-3-fluoro-5-N,5-N-dimethylpyrazole-4,5-diamine
CID 68781118
1-[(3,5-diamino-4-imino-1H-pyrazol-5-yl)-fluoromethyl]pyrazole-3,4,5-triamine
CID 136347463
5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine
CID 130503852
2-[(3,5-diamino-1-methyl-1H-pyrazol-4-yl)amino]Ethanol
CID 9815343
N4,1-dimethyl-1H-pyrazole-3,4,5-triamine
CID 10154099

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine?
The IUPAC name of 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine (CID 66897397) is 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine is CNCCCn1nc(F)c(N)c1N.
What is the InChIKey of 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine?
The InChIKey is ZHEBAZAKPQQOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN5/c1-11-3-2-4-13-7(10)5(9)6(8)12-13/h11H,2-4,9-10H2,1H3.
What are the key properties of 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine?
3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine has a molecular weight of 187.22 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66897397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).