(3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

C16H27N5O3S — CID 72855393

IUPAC(3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1
InChIInChI=1S/C16H27N5O3S/c1-3-6-19-13-15(14(2)17-19)16(22)18-9-11-21(12-10-18)25(23,24)20-7-4-5-8-20/h13H,3-12H2,1-2H3
InChIKeyVWBGDWCMJGPNGB-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.70
Rot. Bonds5

About (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

(3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 72855393) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID72855393
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name(3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1
InChIInChI=1S/C16H27N5O3S/c1-3-6-19-13-15(14(2)17-19)16(22)18-9-11-21(12-10-18)25(23,24)20-7-4-5-8-20/h13H,3-12H2,1-2H3
InChIKeyVWBGDWCMJGPNGB-UHFFFAOYSA-N
XLogP0.70
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-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)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 47027844
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
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
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 72861313
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
(1R*,5R*)-6-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133114118
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91911097
(1-Ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91921485

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (CID 72855393) is (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is CCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1.
What is the InChIKey of (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VWBGDWCMJGPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-3-6-19-13-15(14(2)17-19)16(22)18-9-11-21(12-10-18)25(23,24)20-7-4-5-8-20/h13H,3-12H2,1-2H3.
What are the key properties of (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
(3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-propylpyrazol-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 72855393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).