N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide

C15H17N3O — CID 146093136

IUPACN-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccn[nH]1
InChIInChI=1S/C15H17N3O/c1-10-4-2-3-5-12(10)13-9-14(13)17-15(19)8-11-6-7-16-18-11/h2-7,13-14H,8-9H2,1H3,(H,16,18)(H,17,19)/t13-,14+/m0/s1
InChIKeyOWOQXPICELRZBJ-UONOGXRCSA-N
MW255.32 g/mol
LogP1.93
Rot. Bonds4

About N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide

N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 146093136) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID146093136
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccn[nH]1
InChIInChI=1S/C15H17N3O/c1-10-4-2-3-5-12(10)13-9-14(13)17-15(19)8-11-6-7-16-18-11/h2-7,13-14H,8-9H2,1H3,(H,16,18)(H,17,19)/t13-,14+/m0/s1
InChIKeyOWOQXPICELRZBJ-UONOGXRCSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide (CID 146093136) is N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide is Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccn[nH]1.
What is the InChIKey of N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is OWOQXPICELRZBJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-4-2-3-5-12(10)13-9-14(13)17-15(19)8-11-6-7-16-18-11/h2-7,13-14H,8-9H2,1H3,(H,16,18)(H,17,19)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 146093136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).