4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide

C9H9FN6O — CID 114045781

IUPAC4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCc1ncnc(-n2cc(N)c(C(N)=O)n2)c1F
InChIInChI=1S/C9H9FN6O/c1-4-6(10)9(14-3-13-4)16-2-5(11)7(15-16)8(12)17/h2-3H,11H2,1H3,(H2,12,17)
InChIKeyIFIWEKFYHRMPMV-UHFFFAOYSA-N
MW236.21 g/mol
LogP-0.21
Rot. Bonds2

About 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide

4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 114045781) has the molecular formula C9H9FN6O and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID114045781
Molecular FormulaC9H9FN6O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCc1ncnc(-n2cc(N)c(C(N)=O)n2)c1F
InChIInChI=1S/C9H9FN6O/c1-4-6(10)9(14-3-13-4)16-2-5(11)7(15-16)8(12)17/h2-3H,11H2,1H3,(H2,12,17)
InChIKeyIFIWEKFYHRMPMV-UHFFFAOYSA-N
XLogP-0.21
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide (CID 114045781) is 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide is Cc1ncnc(-n2cc(N)c(C(N)=O)n2)c1F.
What is the InChIKey of 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is IFIWEKFYHRMPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN6O/c1-4-6(10)9(14-3-13-4)16-2-5(11)7(15-16)8(12)17/h2-3H,11H2,1H3,(H2,12,17).
What are the key properties of 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide?
4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 236.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 114045781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).