(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C16H22N4OS — CID 70720101

IUPAC(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)n1cc(C(=O)N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C16H22N4OS/c1-13(2)20-11-14(10-17-20)16(21)19-7-5-18(6-8-19)12-15-4-3-9-22-15/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyOJHRTSMIKNGJGT-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.48
Rot. Bonds4

About (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 70720101) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID70720101
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)n1cc(C(=O)N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C16H22N4OS/c1-13(2)20-11-14(10-17-20)16(21)19-7-5-18(6-8-19)12-15-4-3-9-22-15/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyOJHRTSMIKNGJGT-UHFFFAOYSA-N
XLogP2.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35383078
2-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19622022
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 30536633
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19623779
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834130

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 70720101) is (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CC(C)n1cc(C(=O)N2CCN(Cc3cccs3)CC2)cn1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is OJHRTSMIKNGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13(2)20-11-14(10-17-20)16(21)19-7-5-18(6-8-19)12-15-4-3-9-22-15/h3-4,9-11,13H,5-8,12H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 318.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70720101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).