[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C17H22N4O2 — CID 124622210

IUPAC[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOCCn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-23-14-13-21-8-7-16(18-21)17(22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3
InChIKeyDSEMSBWDOXFPIL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.49
Rot. Bonds5

About [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 124622210) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID124622210
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOCCn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-23-14-13-21-8-7-16(18-21)17(22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3
InChIKeyDSEMSBWDOXFPIL-UHFFFAOYSA-N
XLogP1.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 139010957
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 95754521
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
[1-(difluoromethyl)pyrazol-3-yl]-(4-phenyl-1,4-diazepan-1-yl)methanone
CID 91780523
[1-(2-methoxyethyl)pyrazol-3-yl]-[(3S)-3-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone
CID 124619981
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea
CID 136537851
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 124622210) is [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is COCCn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DSEMSBWDOXFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-14-13-21-8-7-16(18-21)17(22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3.
What are the key properties of [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 124622210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).