1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone

C20H26N4O2 — CID 72849446

IUPAC1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCn1ncc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C
InChIInChI=1S/C20H26N4O2/c1-4-9-24-15(2)19(14-21-24)20(26)23-12-10-22(11-13-23)18-7-5-17(6-8-18)16(3)25/h5-8,14H,4,9-13H2,1-3H3
InChIKeyYBSPTTFKJNHXHM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.77
Rot. Bonds5

About 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 72849446) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID72849446
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCn1ncc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C
InChIInChI=1S/C20H26N4O2/c1-4-9-24-15(2)19(14-21-24)20(26)23-12-10-22(11-13-23)18-7-5-17(6-8-18)16(3)25/h5-8,14H,4,9-13H2,1-3H3
InChIKeyYBSPTTFKJNHXHM-UHFFFAOYSA-N
XLogP2.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 77094797
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72892433
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988391
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 131949132
(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
CID 97274134
1-[4-[4-[(1,4-dimethylpyrazol-5-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 77087014
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-trien-8-one
CID 53088385
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 72849446) is 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone is CCCn1ncc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C.
What is the InChIKey of 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is YBSPTTFKJNHXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-9-24-15(2)19(14-21-24)20(26)23-12-10-22(11-13-23)18-7-5-17(6-8-18)16(3)25/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 72849446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).