1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea

C14H23N5O2 — CID 164633933

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea
SMILESCCc1nn(C)cc1NC(=O)NCC[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C14H23N5O2/c1-4-11-12(9-19(3)17-11)16-14(21)15-6-5-10-7-13(20)18(2)8-10/h9-10H,4-8H2,1-3H3,(H2,15,16,21)/t10-/m0/s1
InChIKeySULOUKHHSUDRCA-JTQLQIEISA-N
MW293.37 g/mol
LogP0.97
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea

1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea (PubChem CID 164633933) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea
PubChem CID164633933
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea
SMILESCCc1nn(C)cc1NC(=O)NCC[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C14H23N5O2/c1-4-11-12(9-19(3)17-11)16-14(21)15-6-5-10-7-13(20)18(2)8-10/h9-10H,4-8H2,1-3H3,(H2,15,16,21)/t10-/m0/s1
InChIKeySULOUKHHSUDRCA-JTQLQIEISA-N
XLogP0.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea (CID 164633933) is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea is CCc1nn(C)cc1NC(=O)NCC[C@H]1CC(=O)N(C)C1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea?
The InChIKey is SULOUKHHSUDRCA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-11-12(9-19(3)17-11)16-14(21)15-6-5-10-7-13(20)18(2)8-10/h9-10H,4-8H2,1-3H3,(H2,15,16,21)/t10-/m0/s1.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea?
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea has a molecular weight of 293.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea is sourced from PubChem (CID 164633933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).