5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine

C5H8FN3 — CID 167233258

IUPAC5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine
SMILESCN(C)c1cn[nH]c1F
InChIInChI=1S/C5H8FN3/c1-9(2)4-3-7-8-5(4)6/h3H,1-2H3,(H,7,8)
InChIKeyXTPKFWAJCLRLBG-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.61
Rot. Bonds1

About 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine

5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine (PubChem CID 167233258) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine
PubChem CID167233258
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine
SMILESCN(C)c1cn[nH]c1F
InChIInChI=1S/C5H8FN3/c1-9(2)4-3-7-8-5(4)6/h3H,1-2H3,(H,7,8)
InChIKeyXTPKFWAJCLRLBG-UHFFFAOYSA-N
XLogP0.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazole, 4-(diethylamino)-
CID 206680
N-Methyl-1H-pyrazol-4-amine
CID 206693
N,N-Dimethyl-1H-pyrazol-4-amine
CID 13450484
3-fluoro-1H-pyrazol-4-amine
CID 45116615
N-methyl-1H-pyrazol-4-amine dihydrochloride
CID 73994675
1-(1H-Pyrazol-4-yl)piperazine
CID 61675946
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141335326
N-(trifluoromethyl)-1H-pyrazol-4-amine
CID 153675330
3-fluoro-2-methyl-1H-pyrazol-2-ium-4-amine
CID 155388933
5-fluoro-1H-pyrazol-2-ium-4-amine
CID 169172728

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine (CID 167233258) is 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine is CN(C)c1cn[nH]c1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine?
The InChIKey is XTPKFWAJCLRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-9(2)4-3-7-8-5(4)6/h3H,1-2H3,(H,7,8).
What are the key properties of 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine?
5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine has a molecular weight of 129.14 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 167233258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).