[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone

C24H28N4O2 — CID 2811414

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
SMILESCCCc1c(C(=O)N2CCN(c3ccccc3OC)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-3-9-21-20(18-25-28(21)19-10-5-4-6-11-19)24(29)27-16-14-26(15-17-27)22-12-7-8-13-23(22)30-2/h4-8,10-13,18H,3,9,14-17H2,1-2H3
InChIKeyNPJGVYLBESXXLM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.80
Rot. Bonds6

About [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone (PubChem CID 2811414) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
PubChem CID2811414
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
SMILESCCCc1c(C(=O)N2CCN(c3ccccc3OC)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-3-9-21-20(18-25-28(21)19-10-5-4-6-11-19)24(29)27-16-14-26(15-17-27)22-12-7-8-13-23(22)30-2/h4-8,10-13,18H,3,9,14-17H2,1-2H3
InChIKeyNPJGVYLBESXXLM-UHFFFAOYSA-N
XLogP3.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46583951
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 132970117
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
CID 2811265
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 136567474

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone (CID 2811414) is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone is CCCc1c(C(=O)N2CCN(c3ccccc3OC)CC2)cnn1-c1ccccc1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
The InChIKey is NPJGVYLBESXXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-9-21-20(18-25-28(21)19-10-5-4-6-11-19)24(29)27-16-14-26(15-17-27)22-12-7-8-13-23(22)30-2/h4-8,10-13,18H,3,9,14-17H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone has a molecular weight of 404.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 2811414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).