[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C22H28N6O2 — CID 19514960

IUPAC[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)c(C)n1
InChIInChI=1S/C22H28N6O2/c1-4-28-15-18(16(2)25-28)14-26-9-11-27(12-10-26)22(29)21-13-20(23-24-21)17-5-7-19(30-3)8-6-17/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,23,24)
InChIKeyBCEZABSFIITLKD-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.57
Rot. Bonds6

About [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 19514960) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID19514960
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)c(C)n1
InChIInChI=1S/C22H28N6O2/c1-4-28-15-18(16(2)25-28)14-26-9-11-27(12-10-26)22(29)21-13-20(23-24-21)17-5-7-19(30-3)8-6-17/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,23,24)
InChIKeyBCEZABSFIITLKD-UHFFFAOYSA-N
XLogP2.57
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70780803
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515025
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472649
[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 131928830
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-(methoxymethyl)pyrazol-3-yl]methanone
CID 19472769
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20953310
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 70733420

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 19514960) is [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is CCn1cc(CN2CCN(C(=O)c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)c(C)n1.
What is the InChIKey of [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is BCEZABSFIITLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-4-28-15-18(16(2)25-28)14-26-9-11-27(12-10-26)22(29)21-13-20(23-24-21)17-5-7-19(30-3)8-6-17/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,23,24).
What are the key properties of [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 408.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 19514960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).