N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide

C23H25N5O3 — CID 75528103

IUPACN-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)n[nH]2)cc1
InChIInChI=1S/C23H25N5O3/c1-16(29)24-19-7-3-18(4-8-19)23(30)28-13-11-27(12-14-28)22-15-21(25-26-22)17-5-9-20(31-2)10-6-17/h3-10,15H,11-14H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyRGKBUJCRPUDHRX-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.01
Rot. Bonds5

About N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 75528103) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide
PubChem CID75528103
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)n[nH]2)cc1
InChIInChI=1S/C23H25N5O3/c1-16(29)24-19-7-3-18(4-8-19)23(30)28-13-11-27(12-14-28)22-15-21(25-26-22)17-5-9-20(31-2)10-6-17/h3-10,15H,11-14H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyRGKBUJCRPUDHRX-UHFFFAOYSA-N
XLogP3.01
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
CID 75528106
(3,4-dimethoxyphenyl)-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91904721
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
N-[4-[7-(4-methoxybenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134801583
(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180949
1-(2,4-dimethoxyphenyl)-3-[4-[3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-yl]phenyl]urea
CID 91128112
(4-ethoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180939
2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527219
4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528414
2-(4-ethoxyphenyl)-1-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]ethanone
CID 75528117
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide (CID 75528103) is N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide is COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)n[nH]2)cc1.
What is the InChIKey of N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is RGKBUJCRPUDHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16(29)24-19-7-3-18(4-8-19)23(30)28-13-11-27(12-14-28)22-15-21(25-26-22)17-5-9-20(31-2)10-6-17/h3-10,15H,11-14H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 75528103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).