1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide

C10H11FN6O — CID 80868512

IUPAC1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H11FN6O/c1-2-13-10-14-4-7(11)9(16-10)17-5-6(3-15-17)8(12)18/h3-5H,2H2,1H3,(H2,12,18)(H,13,14,16)
InChIKeyLLYMMCJYJJDJGG-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.33
Rot. Bonds4

About 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide

1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 80868512) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID80868512
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H11FN6O/c1-2-13-10-14-4-7(11)9(16-10)17-5-6(3-15-17)8(12)18/h3-5H,2H2,1H3,(H2,12,18)(H,13,14,16)
InChIKeyLLYMMCJYJJDJGG-UHFFFAOYSA-N
XLogP0.33
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide (CID 80868512) is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide is CCNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is LLYMMCJYJJDJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O/c1-2-13-10-14-4-7(11)9(16-10)17-5-6(3-15-17)8(12)18/h3-5H,2H2,1H3,(H2,12,18)(H,13,14,16).
What are the key properties of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 250.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 80868512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).