(5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone

C17H28N4OS — CID 72861313

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(C3CCSCC3)CC2)c1C
InChIInChI=1S/C17H28N4OS/c1-3-6-21-14(2)16(13-18-21)17(22)20-9-7-19(8-10-20)15-4-11-23-12-5-15/h13,15H,3-12H2,1-2H3
InChIKeyNHEOKINEWBBKFV-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.25
Rot. Bonds4

About (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone (PubChem CID 72861313) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
PubChem CID72861313
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(C3CCSCC3)CC2)c1C
InChIInChI=1S/C17H28N4OS/c1-3-6-21-14(2)16(13-18-21)17(22)20-9-7-19(8-10-20)15-4-11-23-12-5-15/h13,15H,3-12H2,1-2H3
InChIKeyNHEOKINEWBBKFV-UHFFFAOYSA-N
XLogP2.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-3-[2-oxo-2-(4-thiomorpholinyl)ethyl]morpholine
CID 56889654
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(1-pyrrolidinylsulfonyl)piperazine
CID 72855393
(4-Cyclopentylpiperazin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 56811880
tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate
CID 86781478
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 164630775
N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 164630818
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 72898512
1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020426

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone (CID 72861313) is (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone is CCCn1ncc(C(=O)N2CCN(C3CCSCC3)CC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
The InChIKey is NHEOKINEWBBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-6-21-14(2)16(13-18-21)17(22)20-9-7-19(8-10-20)15-4-11-23-12-5-15/h13,15H,3-12H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone has a molecular weight of 336.51 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 72861313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).