1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea

C15H23N5O2 — CID 99821906

IUPAC1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C15H23N5O2/c1-2-5-19-10-12(8-17-19)18-15(22)16-7-11-6-14(21)20(9-11)13-3-4-13/h8,10-11,13H,2-7,9H2,1H3,(H2,16,18,22)/t11-/m1/s1
InChIKeySPRPLSDTQVIMMW-LLVKDONJSA-N
MW305.38 g/mol
LogP1.43
Rot. Bonds6

About 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea

1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea (PubChem CID 99821906) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea
PubChem CID99821906
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C15H23N5O2/c1-2-5-19-10-12(8-17-19)18-15(22)16-7-11-6-14(21)20(9-11)13-3-4-13/h8,10-11,13H,2-7,9H2,1H3,(H2,16,18,22)/t11-/m1/s1
InChIKeySPRPLSDTQVIMMW-LLVKDONJSA-N
XLogP1.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea?
The IUPAC name of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea (CID 99821906) is 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea is CCCn1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1.
What is the InChIKey of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea?
The InChIKey is SPRPLSDTQVIMMW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-2-5-19-10-12(8-17-19)18-15(22)16-7-11-6-14(21)20(9-11)13-3-4-13/h8,10-11,13H,2-7,9H2,1H3,(H2,16,18,22)/t11-/m1/s1.
What are the key properties of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea?
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea has a molecular weight of 305.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea is sourced from PubChem (CID 99821906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).