N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide

C15H17N3O — CID 46482907

IUPACN-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C15H17N3O/c19-14(11-18-10-4-9-17-18)16-12-15(7-8-15)13-5-2-1-3-6-13/h1-6,9-10H,7-8,11-12H2,(H,16,19)
InChIKeyRMMVWXVJLNJKDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.73
Rot. Bonds5

About N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide

N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 46482907) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID46482907
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C15H17N3O/c19-14(11-18-10-4-9-17-18)16-12-15(7-8-15)13-5-2-1-3-6-13/h1-6,9-10H,7-8,11-12H2,(H,16,19)
InChIKeyRMMVWXVJLNJKDA-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide (CID 46482907) is N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC1(c2ccccc2)CC1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is RMMVWXVJLNJKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14(11-18-10-4-9-17-18)16-12-15(7-8-15)13-5-2-1-3-6-13/h1-6,9-10H,7-8,11-12H2,(H,16,19).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide?
N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 255.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 46482907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).