N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide

C18H24N4O — CID 95757886

IUPACN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESCc1ccc([C@H](NC(=O)CNCCn2cccn2)C2CC2)cc1
InChIInChI=1S/C18H24N4O/c1-14-3-5-15(6-4-14)18(16-7-8-16)21-17(23)13-19-10-12-22-11-2-9-20-22/h2-6,9,11,16,18-19H,7-8,10,12-13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyZBECTCCWDOWPKT-SFHVURJKSA-N
MW312.42 g/mol
LogP2.05
Rot. Bonds8

About N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide

N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide (PubChem CID 95757886) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
PubChem CID95757886
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESCc1ccc([C@H](NC(=O)CNCCn2cccn2)C2CC2)cc1
InChIInChI=1S/C18H24N4O/c1-14-3-5-15(6-4-14)18(16-7-8-16)21-17(23)13-19-10-12-22-11-2-9-20-22/h2-6,9,11,16,18-19H,7-8,10,12-13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyZBECTCCWDOWPKT-SFHVURJKSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide (CID 95757886) is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide is Cc1ccc([C@H](NC(=O)CNCCn2cccn2)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
The InChIKey is ZBECTCCWDOWPKT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-3-5-15(6-4-14)18(16-7-8-16)21-17(23)13-19-10-12-22-11-2-9-20-22/h2-6,9,11,16,18-19H,7-8,10,12-13H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide is sourced from PubChem (CID 95757886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).