[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone

C19H20N4OS — CID 47089961

IUPAC[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H20N4OS/c24-19(16-7-13-25-15-16)22-11-9-21(10-12-22)14-17-6-8-23(20-17)18-4-2-1-3-5-18/h1-8,13,15H,9-12,14H2
InChIKeyAIGFMZYDVRUBNZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.89
Rot. Bonds4

About [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 47089961) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID47089961
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H20N4OS/c24-19(16-7-13-25-15-16)22-11-9-21(10-12-22)14-17-6-8-23(20-17)18-4-2-1-3-5-18/h1-8,13,15H,9-12,14H2
InChIKeyAIGFMZYDVRUBNZ-UHFFFAOYSA-N
XLogP2.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
CID 75431738
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054184
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 80666043
[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 56822581
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24517457
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 56816308
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741

Frequently Asked Questions

What is the IUPAC name of [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 47089961) is [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is AIGFMZYDVRUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(16-7-13-25-15-16)22-11-9-21(10-12-22)14-17-6-8-23(20-17)18-4-2-1-3-5-18/h1-8,13,15H,9-12,14H2.
What are the key properties of [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 47089961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).