3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide

C21H23FN4O3 — CID 71796442

IUPAC3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccco1)N1CCOCC1
InChIInChI=1S/C21H23FN4O3/c1-25-18(13-17(24-25)15-4-6-16(22)7-5-15)21(27)23-14-19(20-3-2-10-29-20)26-8-11-28-12-9-26/h2-7,10,13,19H,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyIVJJQDYMTBEXDK-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.62
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71796442) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide
PubChem CID71796442
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccco1)N1CCOCC1
InChIInChI=1S/C21H23FN4O3/c1-25-18(13-17(24-25)15-4-6-16(22)7-5-15)21(27)23-14-19(20-3-2-10-29-20)26-8-11-28-12-9-26/h2-7,10,13,19H,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyIVJJQDYMTBEXDK-UHFFFAOYSA-N
XLogP2.62
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide (CID 71796442) is 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccco1)N1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IVJJQDYMTBEXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-25-18(13-17(24-25)15-4-6-16(22)7-5-15)21(27)23-14-19(20-3-2-10-29-20)26-8-11-28-12-9-26/h2-7,10,13,19H,8-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71796442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).