N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide

C22H26N4O2 — CID 119498729

IUPACN-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCCC(C)N)cc1
InChIInChI=1S/C22H26N4O2/c1-16(23)12-13-24-21(27)14-18-15-26(19-6-4-3-5-7-19)25-22(18)17-8-10-20(28-2)11-9-17/h3-11,15-16H,12-14,23H2,1-2H3,(H,24,27)
InChIKeyOGZWDLKJBACQLF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.94
Rot. Bonds8

About N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide

N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide (PubChem CID 119498729) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
PubChem CID119498729
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCCC(C)N)cc1
InChIInChI=1S/C22H26N4O2/c1-16(23)12-13-24-21(27)14-18-15-26(19-6-4-3-5-7-19)25-22(18)17-8-10-20(28-2)11-9-17/h3-11,15-16H,12-14,23H2,1-2H3,(H,24,27)
InChIKeyOGZWDLKJBACQLF-UHFFFAOYSA-N
XLogP2.94
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050268
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
N-(3-methoxypropyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 34974205
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 18227355

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide?
The IUPAC name of N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide (CID 119498729) is N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide is COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide?
The InChIKey is OGZWDLKJBACQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(23)12-13-24-21(27)14-18-15-26(19-6-4-3-5-7-19)25-22(18)17-8-10-20(28-2)11-9-17/h3-11,15-16H,12-14,23H2,1-2H3,(H,24,27).
What are the key properties of N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide?
N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide is sourced from PubChem (CID 119498729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).