1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea

C18H25N7O2 — CID 154736968

IUPAC1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea
SMILESCCn1nc(NC(=O)NC2CCN(c3cc(C)nn3C)C2=O)cc1C1CC1
InChIInChI=1S/C18H25N7O2/c1-4-25-14(12-5-6-12)10-15(22-25)20-18(27)19-13-7-8-24(17(13)26)16-9-11(2)21-23(16)3/h9-10,12-13H,4-8H2,1-3H3,(H2,19,20,22,27)
InChIKeyVMMLQJCGDLKITF-UHFFFAOYSA-N
MW371.45 g/mol
LogP1.75
Rot. Bonds5

About 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea

1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 154736968) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea
PubChem CID154736968
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea
SMILESCCn1nc(NC(=O)NC2CCN(c3cc(C)nn3C)C2=O)cc1C1CC1
InChIInChI=1S/C18H25N7O2/c1-4-25-14(12-5-6-12)10-15(22-25)20-18(27)19-13-7-8-24(17(13)26)16-9-11(2)21-23(16)3/h9-10,12-13H,4-8H2,1-3H3,(H2,19,20,22,27)
InChIKeyVMMLQJCGDLKITF-UHFFFAOYSA-N
XLogP1.75
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea (CID 154736968) is 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea is CCn1nc(NC(=O)NC2CCN(c3cc(C)nn3C)C2=O)cc1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is VMMLQJCGDLKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-4-25-14(12-5-6-12)10-15(22-25)20-18(27)19-13-7-8-24(17(13)26)16-9-11(2)21-23(16)3/h9-10,12-13H,4-8H2,1-3H3,(H2,19,20,22,27).
What are the key properties of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea?
1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 371.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 154736968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).