4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide

C9H11FN4O2 — CID 89434969

IUPAC4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(N)=O
InChIInChI=1S/C9H11FN4O2/c1-13-7(8(11)15)6(2-12-13)9(16)14-3-5(10)4-14/h2,5H,3-4H2,1H3,(H2,11,15)
InChIKeyZRYWKCDUMZZKLE-UHFFFAOYSA-N
MW226.21 g/mol
LogP-0.69
Rot. Bonds2

About 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide

4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide (PubChem CID 89434969) has the molecular formula C9H11FN4O2 and a molecular weight of 226.21 g/mol. Its IUPAC name is 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
PubChem CID89434969
Molecular FormulaC9H11FN4O2
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC Name4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(N)=O
InChIInChI=1S/C9H11FN4O2/c1-13-7(8(11)15)6(2-12-13)9(16)14-3-5(10)4-14/h2,5H,3-4H2,1H3,(H2,11,15)
InChIKeyZRYWKCDUMZZKLE-UHFFFAOYSA-N
XLogP-0.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide (CID 89434969) is 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CC(F)C2)c1C(N)=O.
What is the InChIKey of 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZRYWKCDUMZZKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2/c1-13-7(8(11)15)6(2-12-13)9(16)14-3-5(10)4-14/h2,5H,3-4H2,1H3,(H2,11,15).
What are the key properties of 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 226.21 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 89434969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).