5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine

C8H15FN4 — CID 130503922

IUPAC5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCCF)c1N
InChIInChI=1S/C8H15FN4/c1-6-7(10)8(13(2)12-6)11-5-3-4-9/h11H,3-5,10H2,1-2H3
InChIKeyUCQPMOIOSVEQLY-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.08
Rot. Bonds4

About 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 130503922) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID130503922
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCCF)c1N
InChIInChI=1S/C8H15FN4/c1-6-7(10)8(13(2)12-6)11-5-3-4-9/h11H,3-5,10H2,1-2H3
InChIKeyUCQPMOIOSVEQLY-UHFFFAOYSA-N
XLogP1.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dimethyl-1H-pyrazole-3,4-diamine
CID 544940
N1-(1,3-dimethyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 91647558
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride
CID 146155195
N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
CID 154857210
N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
N-isopropyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 71633044
N-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 169977508
3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622237
N-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 173098640
N-(2,5-dimethyl-4-nitro-2H-pyrazol-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 2807344
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine (CID 130503922) is 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NCCCF)c1N.
What is the InChIKey of 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is UCQPMOIOSVEQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-6-7(10)8(13(2)12-6)11-5-3-4-9/h11H,3-5,10H2,1-2H3.
What are the key properties of 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 186.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 130503922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).