1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea

C16H25N5O2 — CID 97228790

IUPAC1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1CC[C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C1=O
InChIInChI=1S/C16H25N5O2/c1-10(2)21-8-7-12(15(21)22)17-16(23)18-14-9-13(19-20(14)3)11-5-4-6-11/h9-12H,4-8H2,1-3H3,(H2,17,18,23)/t12-/m0/s1
InChIKeyHPYDRVHSHPWFOK-LBPRGKRZSA-N
MW319.41 g/mol
LogP1.82
Rot. Bonds4

About 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea

1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 97228790) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID97228790
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1CC[C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C1=O
InChIInChI=1S/C16H25N5O2/c1-10(2)21-8-7-12(15(21)22)17-16(23)18-14-9-13(19-20(14)3)11-5-4-6-11/h9-12H,4-8H2,1-3H3,(H2,17,18,23)/t12-/m0/s1
InChIKeyHPYDRVHSHPWFOK-LBPRGKRZSA-N
XLogP1.82
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea (CID 97228790) is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea is CC(C)N1CC[C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C1=O.
What is the InChIKey of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is HPYDRVHSHPWFOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10(2)21-8-7-12(15(21)22)17-16(23)18-14-9-13(19-20(14)3)11-5-4-6-11/h9-12H,4-8H2,1-3H3,(H2,17,18,23)/t12-/m0/s1.
What are the key properties of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97228790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).