(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide

C14H15N5O2 — CID 97080000

IUPAC(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NCc2ccccc2-n2cccn2)N1
InChIInChI=1S/C14H15N5O2/c20-13(11-9-16-14(21)18-11)15-8-10-4-1-2-5-12(10)19-7-3-6-17-19/h1-7,11H,8-9H2,(H,15,20)(H2,16,18,21)/t11-/m0/s1
InChIKeyTZZATLAUOVQOSJ-NSHDSACASA-N
MW285.31 g/mol
LogP0.17
Rot. Bonds4

About (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide

(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide (PubChem CID 97080000) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
PubChem CID97080000
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NCc2ccccc2-n2cccn2)N1
InChIInChI=1S/C14H15N5O2/c20-13(11-9-16-14(21)18-11)15-8-10-4-1-2-5-12(10)19-7-3-6-17-19/h1-7,11H,8-9H2,(H,15,20)(H2,16,18,21)/t11-/m0/s1
InChIKeyTZZATLAUOVQOSJ-NSHDSACASA-N
XLogP0.17
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide (CID 97080000) is (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NCc2ccccc2-n2cccn2)N1.
What is the InChIKey of (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide?
The InChIKey is TZZATLAUOVQOSJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13(11-9-16-14(21)18-11)15-8-10-4-1-2-5-12(10)19-7-3-6-17-19/h1-7,11H,8-9H2,(H,15,20)(H2,16,18,21)/t11-/m0/s1.
What are the key properties of (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide?
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 97080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).