N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C25H31N3O3 — CID 46514677

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cc2cnn(-c3ccccc3)c2)cc1OCCC
InChIInChI=1S/C25H31N3O3/c1-4-13-30-23-12-11-21(16-24(23)31-14-5-2)19(3)27-25(29)15-20-17-26-28(18-20)22-9-7-6-8-10-22/h6-12,16-19H,4-5,13-15H2,1-3H3,(H,27,29)
InChIKeyAKTLAGFVWZZNNF-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.87
Rot. Bonds11

About N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 46514677) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID46514677
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cc2cnn(-c3ccccc3)c2)cc1OCCC
InChIInChI=1S/C25H31N3O3/c1-4-13-30-23-12-11-21(16-24(23)31-14-5-2)19(3)27-25(29)15-20-17-26-28(18-20)22-9-7-6-8-10-22/h6-12,16-19H,4-5,13-15H2,1-3H3,(H,27,29)
InChIKeyAKTLAGFVWZZNNF-UHFFFAOYSA-N
XLogP4.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
(E)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9092068
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134053810
(2S)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 120615170
N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18146630
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 18143612
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 46514677) is N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is CCCOc1ccc(C(C)NC(=O)Cc2cnn(-c3ccccc3)c2)cc1OCCC.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is AKTLAGFVWZZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-13-30-23-12-11-21(16-24(23)31-14-5-2)19(3)27-25(29)15-20-17-26-28(18-20)22-9-7-6-8-10-22/h6-12,16-19H,4-5,13-15H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 421.54 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46514677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).