1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide

C20H21FN6O — CID 71794381

IUPAC1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4F)nn3)C2)n1
InChIInChI=1S/C20H21FN6O/c1-2-27-12-10-18(25-27)20(28)22-14-9-11-26(13-14)19-8-7-17(23-24-19)15-5-3-4-6-16(15)21/h3-8,10,12,14H,2,9,11,13H2,1H3,(H,22,28)
InChIKeyIBHHEZHIWUJNGE-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.51
Rot. Bonds5

About 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide

1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 71794381) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID71794381
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4F)nn3)C2)n1
InChIInChI=1S/C20H21FN6O/c1-2-27-12-10-18(25-27)20(28)22-14-9-11-26(13-14)19-8-7-17(23-24-19)15-5-3-4-6-16(15)21/h3-8,10,12,14H,2,9,11,13H2,1H3,(H,22,28)
InChIKeyIBHHEZHIWUJNGE-UHFFFAOYSA-N
XLogP2.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 71794381) is 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4F)nn3)C2)n1.
What is the InChIKey of 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is IBHHEZHIWUJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-2-27-12-10-18(25-27)20(28)22-14-9-11-26(13-14)19-8-7-17(23-24-19)15-5-3-4-6-16(15)21/h3-8,10,12,14H,2,9,11,13H2,1H3,(H,22,28).
What are the key properties of 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 71794381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).