[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C20H24N6O2 — CID 71788563

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(CCn4ccnc4)CC3)[nH]n2)c1
InChIInChI=1S/C20H24N6O2/c1-28-17-4-2-3-16(13-17)18-14-19(23-22-18)20(27)26-11-9-24(10-12-26)7-8-25-6-5-21-15-25/h2-6,13-15H,7-12H2,1H3,(H,22,23)
InChIKeyOMVMRLZTEIXXEZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.74
Rot. Bonds6

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 71788563) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID71788563
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(CCn4ccnc4)CC3)[nH]n2)c1
InChIInChI=1S/C20H24N6O2/c1-28-17-4-2-3-16(13-17)18-14-19(23-22-18)20(27)26-11-9-24(10-12-26)7-8-25-6-5-21-15-25/h2-6,13-15H,7-12H2,1H3,(H,22,23)
InChIKeyOMVMRLZTEIXXEZ-UHFFFAOYSA-N
XLogP1.74
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 71788563) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(CCn4ccnc4)CC3)[nH]n2)c1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is OMVMRLZTEIXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-17-4-2-3-16(13-17)18-14-19(23-22-18)20(27)26-11-9-24(10-12-26)7-8-25-6-5-21-15-25/h2-6,13-15H,7-12H2,1H3,(H,22,23).
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 71788563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).