1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C20H17FN4O2 — CID 20915525

IUPAC1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccco1
InChIInChI=1S/C20H17FN4O2/c1-14-18(19(26)22-13-17-5-4-12-27-17)20(24-10-2-3-11-24)25(23-14)16-8-6-15(21)7-9-16/h2-12H,13H2,1H3,(H,22,26)
InChIKeyULRCKLDDVRXRPK-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915525) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915525
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccco1
InChIInChI=1S/C20H17FN4O2/c1-14-18(19(26)22-13-17-5-4-12-27-17)20(24-10-2-3-11-24)25(23-14)16-8-6-15(21)7-9-16/h2-12H,13H2,1H3,(H,22,26)
InChIKeyULRCKLDDVRXRPK-UHFFFAOYSA-N
XLogP3.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915525) is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccco1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ULRCKLDDVRXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-14-18(19(26)22-13-17-5-4-12-27-17)20(24-10-2-3-11-24)25(23-14)16-8-6-15(21)7-9-16/h2-12H,13H2,1H3,(H,22,26).
What are the key properties of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).