N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide

C14H15N3O2 — CID 139911829

IUPACN-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1[nH]ncc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H15N3O2/c1-10(18)16-14-12(9-15-17-14)13(19)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyGWXCOPWQTIKXPJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.18
Rot. Bonds5

About N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide

N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide (PubChem CID 139911829) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide
PubChem CID139911829
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1[nH]ncc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H15N3O2/c1-10(18)16-14-12(9-15-17-14)13(19)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyGWXCOPWQTIKXPJ-UHFFFAOYSA-N
XLogP2.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide (CID 139911829) is N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide is CC(=O)Nc1[nH]ncc1C(=O)CCc1ccccc1.
What is the InChIKey of N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide?
The InChIKey is GWXCOPWQTIKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)16-14-12(9-15-17-14)13(19)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide?
N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylpropanoyl)-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 139911829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).