1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C13H16N4OS — CID 60786486

IUPAC1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H16N4OS/c18-13(12-7-14-15-8-12)17-4-2-16(3-5-17)9-11-1-6-19-10-11/h1,6-8,10H,2-5,9H2,(H,14,15)
InChIKeyPKZHFQKJPCDNGW-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.43
Rot. Bonds3

About 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60786486) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID60786486
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H16N4OS/c18-13(12-7-14-15-8-12)17-4-2-16(3-5-17)9-11-1-6-19-10-11/h1,6-8,10H,2-5,9H2,(H,14,15)
InChIKeyPKZHFQKJPCDNGW-UHFFFAOYSA-N
XLogP1.43
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 61140524
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24517457
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
[4-(2-bromoethyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660526
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 65359737
[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 35438430

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 60786486) is 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is PKZHFQKJPCDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-13(12-7-14-15-8-12)17-4-2-16(3-5-17)9-11-1-6-19-10-11/h1,6-8,10H,2-5,9H2,(H,14,15).
What are the key properties of 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60786486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).