fluoromethane;1-methylpyrazole-4-carboxamide

C6H10FN3O — CID 158051819

IUPACfluoromethane;1-methylpyrazole-4-carboxamide
SMILESCF.Cn1cc(C(N)=O)cn1
InChIInChI=1S/C5H7N3O.CH3F/c1-8-3-4(2-7-8)5(6)9;1-2/h2-3H,1H3,(H2,6,9);1H3
InChIKeyFJOOHFQBONBTMK-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.10
Rot. Bonds1

About fluoromethane;1-methylpyrazole-4-carboxamide

fluoromethane;1-methylpyrazole-4-carboxamide (PubChem CID 158051819) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is fluoromethane;1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Namefluoromethane;1-methylpyrazole-4-carboxamide
PubChem CID158051819
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Namefluoromethane;1-methylpyrazole-4-carboxamide
SMILESCF.Cn1cc(C(N)=O)cn1
InChIInChI=1S/C5H7N3O.CH3F/c1-8-3-4(2-7-8)5(6)9;1-2/h2-3H,1H3,(H2,6,9);1H3
InChIKeyFJOOHFQBONBTMK-UHFFFAOYSA-N
XLogP0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpyrazole-4-carboxamide;1,2,3-trifluoro-5-phenylbenzene
CID 159796850
1-methylpyrazole-4-carboxylate
CID 6979031
2,2-difluoro-1-(1-methylpyrazol-4-yl)propan-1-one
CID 127017336
2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
2-fluoro-3-(1-methylpyrazol-4-yl)but-2-enoic acid
CID 79728820
1-sulfanylpyrazole-4-carboxamide
CID 138476290
2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 79190260
1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
CID 91041717
1-(1-fluorocyclopropyl)pyrazole-4-carboxamide
CID 178179771
3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116573541
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-methylpyrazole-4-carboxamide?
The IUPAC name of fluoromethane;1-methylpyrazole-4-carboxamide (CID 158051819) is fluoromethane;1-methylpyrazole-4-carboxamide.
What is the SMILES notation for fluoromethane;1-methylpyrazole-4-carboxamide?
The canonical SMILES for fluoromethane;1-methylpyrazole-4-carboxamide is CF.Cn1cc(C(N)=O)cn1.
What is the InChIKey of fluoromethane;1-methylpyrazole-4-carboxamide?
The InChIKey is FJOOHFQBONBTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.CH3F/c1-8-3-4(2-7-8)5(6)9;1-2/h2-3H,1H3,(H2,6,9);1H3.
What are the key properties of fluoromethane;1-methylpyrazole-4-carboxamide?
fluoromethane;1-methylpyrazole-4-carboxamide has a molecular weight of 159.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 158051819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).