1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C20H15F2N5O — CID 51055137

IUPAC1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccnc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C20H15F2N5O/c1-13-5-4-8-23-18(13)25-19(28)15-12-24-27(20(15)26-9-2-3-10-26)17-7-6-14(21)11-16(17)22/h2-12H,1H3,(H,23,25,28)
InChIKeyKDDQTFYWYQMQLA-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.90
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 51055137) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID51055137
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccnc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C20H15F2N5O/c1-13-5-4-8-23-18(13)25-19(28)15-12-24-27(20(15)26-9-2-3-10-26)17-7-6-14(21)11-16(17)22/h2-12H,1H3,(H,23,25,28)
InChIKeyKDDQTFYWYQMQLA-UHFFFAOYSA-N
XLogP3.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 51055137) is 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1cccnc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is KDDQTFYWYQMQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-13-5-4-8-23-18(13)25-19(28)15-12-24-27(20(15)26-9-2-3-10-26)17-7-6-14(21)11-16(17)22/h2-12H,1H3,(H,23,25,28).
What are the key properties of 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51055137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).