N,N-bis(3-pyrazol-1-ylphenyl)acetamide

C20H17N5O — CID 58704384

IUPACN,N-bis(3-pyrazol-1-ylphenyl)acetamide
SMILESCC(=O)N(c1cccc(-n2cccn2)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H17N5O/c1-16(26)25(19-8-2-6-17(14-19)23-12-4-10-21-23)20-9-3-7-18(15-20)24-13-5-11-22-24/h2-15H,1H3
InChIKeyOWZZPUCHBULBDR-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.74
Rot. Bonds4

About N,N-bis(3-pyrazol-1-ylphenyl)acetamide

N,N-bis(3-pyrazol-1-ylphenyl)acetamide (PubChem CID 58704384) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N,N-bis(3-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(3-pyrazol-1-ylphenyl)acetamide
PubChem CID58704384
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN,N-bis(3-pyrazol-1-ylphenyl)acetamide
SMILESCC(=O)N(c1cccc(-n2cccn2)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H17N5O/c1-16(26)25(19-8-2-6-17(14-19)23-12-4-10-21-23)20-9-3-7-18(15-20)24-13-5-11-22-24/h2-15H,1H3
InChIKeyOWZZPUCHBULBDR-UHFFFAOYSA-N
XLogP3.74
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrazol-1-ylphenyl) acetate
CID 67940109
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 51954037
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
N-ethyl-N-(3-ethynylphenyl)-3-pyrazol-1-ylbenzamide
CID 99397193
ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
CID 137463417
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
CID 18945125
N-hydroxy-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 121269908
N-(3-methylphenyl)-N-pyridin-3-ylacetamide
CID 20820139
2-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrazole
CID 175305227
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N,N-bis(3-pyrazol-1-ylphenyl)acetamide (CID 58704384) is N,N-bis(3-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N,N-bis(3-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N,N-bis(3-pyrazol-1-ylphenyl)acetamide is CC(=O)N(c1cccc(-n2cccn2)c1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N,N-bis(3-pyrazol-1-ylphenyl)acetamide?
The InChIKey is OWZZPUCHBULBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-16(26)25(19-8-2-6-17(14-19)23-12-4-10-21-23)20-9-3-7-18(15-20)24-13-5-11-22-24/h2-15H,1H3.
What are the key properties of N,N-bis(3-pyrazol-1-ylphenyl)acetamide?
N,N-bis(3-pyrazol-1-ylphenyl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 58704384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).