5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine

C7H13FN4 — CID 130503852

IUPAC5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCF)c1N
InChIInChI=1S/C7H13FN4/c1-5-6(9)7(10-4-3-8)12(2)11-5/h10H,3-4,9H2,1-2H3
InChIKeyKHBMCXGCSZPDHG-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.69
Rot. Bonds3

About 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 130503852) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID130503852
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCF)c1N
InChIInChI=1S/C7H13FN4/c1-5-6(9)7(10-4-3-8)12(2)11-5/h10H,3-4,9H2,1-2H3
InChIKeyKHBMCXGCSZPDHG-UHFFFAOYSA-N
XLogP0.69
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
3-Fluoro-1-[3-(methylamino)propyl]pyrazole-4,5-diamine
CID 66897397
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
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine
CID 146482441
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

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine (CID 130503852) is 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NCCF)c1N.
What is the InChIKey of 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is KHBMCXGCSZPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-5-6(9)7(10-4-3-8)12(2)11-5/h10H,3-4,9H2,1-2H3.
What are the key properties of 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 172.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 130503852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).