N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide

C15H17N3O2 — CID 11737334

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-14(11-5-3-2-4-6-11)15(19)16-13-9-12(17-18-13)10-7-8-10/h2-6,9-10,14H,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyIKTSXTHXYZRAPU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide (PubChem CID 11737334) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide
PubChem CID11737334
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-14(11-5-3-2-4-6-11)15(19)16-13-9-12(17-18-13)10-7-8-10/h2-6,9-10,14H,7-8H2,1H3,(H2,16,17,18,19)
InChIKeyIKTSXTHXYZRAPU-UHFFFAOYSA-N
XLogP2.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide (CID 11737334) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is IKTSXTHXYZRAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14(11-5-3-2-4-6-11)15(19)16-13-9-12(17-18-13)10-7-8-10/h2-6,9-10,14H,7-8H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 271.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 11737334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).