1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea

C19H24FN5O2 — CID 118793169

IUPAC1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
SMILESCCc1nn(C)c(NC(=O)NC2CCC(=O)N(C)C2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN5O2/c1-4-15-17(12-5-7-13(20)8-6-12)18(25(3)23-15)22-19(27)21-14-9-10-16(26)24(2)11-14/h5-8,14H,4,9-11H2,1-3H3,(H2,21,22,27)
InChIKeyQSMCBOZJQMMSFS-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds4

About 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea

1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea (PubChem CID 118793169) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
PubChem CID118793169
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
SMILESCCc1nn(C)c(NC(=O)NC2CCC(=O)N(C)C2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN5O2/c1-4-15-17(12-5-7-13(20)8-6-12)18(25(3)23-15)22-19(27)21-14-9-10-16(26)24(2)11-14/h5-8,14H,4,9-11H2,1-3H3,(H2,21,22,27)
InChIKeyQSMCBOZJQMMSFS-UHFFFAOYSA-N
XLogP2.53
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea?
The IUPAC name of 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea (CID 118793169) is 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea is CCc1nn(C)c(NC(=O)NC2CCC(=O)N(C)C2)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea?
The InChIKey is QSMCBOZJQMMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-4-15-17(12-5-7-13(20)8-6-12)18(25(3)23-15)22-19(27)21-14-9-10-16(26)24(2)11-14/h5-8,14H,4,9-11H2,1-3H3,(H2,21,22,27).
What are the key properties of 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea?
1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea has a molecular weight of 373.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea is sourced from PubChem (CID 118793169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).