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

C14H15N3O — CID 5330998

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H15N3O/c18-14(8-10-4-2-1-3-5-10)15-13-9-12(16-17-13)11-6-7-11/h1-5,9,11H,6-8H2,(H2,15,16,17,18)
InChIKeyMYIYDTISJDJCKB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.47
Rot. Bonds4

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide (PubChem CID 5330998) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
PubChem CID5330998
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H15N3O/c18-14(8-10-4-2-1-3-5-10)15-13-9-12(16-17-13)11-6-7-11/h1-5,9,11H,6-8H2,(H2,15,16,17,18)
InChIKeyMYIYDTISJDJCKB-UHFFFAOYSA-N
XLogP2.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide (CID 5330998) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
The InChIKey is MYIYDTISJDJCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(8-10-4-2-1-3-5-10)15-13-9-12(16-17-13)11-6-7-11/h1-5,9,11H,6-8H2,(H2,15,16,17,18).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide has a molecular weight of 241.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 5330998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).