(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide

C12H19N5O2 — CID 164631700

IUPAC(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide
SMILESCC(C)n1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)n1
InChIInChI=1S/C12H19N5O2/c1-8(2)17-5-4-9(15-17)6-13-11(18)10-7-16(3)12(19)14-10/h4-5,8,10H,6-7H2,1-3H3,(H,13,18)(H,14,19)/t10-/m0/s1
InChIKeyWXNUZQPPWWSLCZ-JTQLQIEISA-N
MW265.32 g/mol
LogP0.10
Rot. Bonds4

About (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide

(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide (PubChem CID 164631700) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide
PubChem CID164631700
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide
SMILESCC(C)n1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)n1
InChIInChI=1S/C12H19N5O2/c1-8(2)17-5-4-9(15-17)6-13-11(18)10-7-16(3)12(19)14-10/h4-5,8,10H,6-7H2,1-3H3,(H,13,18)(H,14,19)/t10-/m0/s1
InChIKeyWXNUZQPPWWSLCZ-JTQLQIEISA-N
XLogP0.10
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide (CID 164631700) is (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide is CC(C)n1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)n1.
What is the InChIKey of (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide?
The InChIKey is WXNUZQPPWWSLCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)17-5-4-9(15-17)6-13-11(18)10-7-16(3)12(19)14-10/h4-5,8,10H,6-7H2,1-3H3,(H,13,18)(H,14,19)/t10-/m0/s1.
What are the key properties of (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide?
(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 164631700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).