(3-fluoro-1H-pyrazol-5-yl)methanamine

C4H6FN3 — CID 135396881

IUPAC(3-fluoro-1H-pyrazol-5-yl)methanamine
SMILESNCc1cc(F)n[nH]1
InChIInChI=1S/C4H6FN3/c5-4-1-3(2-6)7-8-4/h1H,2,6H2,(H,7,8)
InChIKeyXEJJOYIBZZHRDU-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.01
Rot. Bonds1

About (3-fluoro-1H-pyrazol-5-yl)methanamine

(3-fluoro-1H-pyrazol-5-yl)methanamine (PubChem CID 135396881) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is (3-fluoro-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1H-pyrazol-5-yl)methanamine
PubChem CID135396881
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name(3-fluoro-1H-pyrazol-5-yl)methanamine
SMILESNCc1cc(F)n[nH]1
InChIInChI=1S/C4H6FN3/c5-4-1-3(2-6)7-8-4/h1H,2,6H2,(H,7,8)
InChIKeyXEJJOYIBZZHRDU-UHFFFAOYSA-N
XLogP0.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-5-methyl-1H-pyrazole
CID 14573935
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
(5-(trifluoromethyl)-1H-pyrazol-3-yl)methanamine dihydrochloride
CID 126796406
1-(1H-Pyrazol-5-yl)methanamine
CID 7147653
5-(azidomethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 71551965
3-(Fluoromethyl)-1H-pyrazole
CID 19779922
(5-(Trifluoromethyl)-1H-pyrazol-3-yl)methanamine
CID 50896787
3-fluoro-5-methyl-1H-pyrazole
CID 68374671
3-ethenyl-5-fluoro-1H-pyrazole
CID 68999636
(3-(trifluoromethyl)-1H-pyrazol-5-yl)methanamine hydrochloride
CID 70816585
1H-pyrazole-5-carboximidoyl fluoride
CID 137141126
CID 142532291
CID 142532291

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (3-fluoro-1H-pyrazol-5-yl)methanamine (CID 135396881) is (3-fluoro-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (3-fluoro-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (3-fluoro-1H-pyrazol-5-yl)methanamine is NCc1cc(F)n[nH]1.
What is the InChIKey of (3-fluoro-1H-pyrazol-5-yl)methanamine?
The InChIKey is XEJJOYIBZZHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c5-4-1-3(2-6)7-8-4/h1H,2,6H2,(H,7,8).
What are the key properties of (3-fluoro-1H-pyrazol-5-yl)methanamine?
(3-fluoro-1H-pyrazol-5-yl)methanamine has a molecular weight of 115.11 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 135396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).