N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

C12H20N4O3S — CID 19583552

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C12H20N4O3S/c1-15-8-10(7-14-15)6-13-12(17)11-4-3-5-16(9-11)20(2,18)19/h7-8,11H,3-6,9H2,1-2H3,(H,13,17)
InChIKeyUJOSWECLKVKTSG-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.29
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 19583552) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID19583552
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C12H20N4O3S/c1-15-8-10(7-14-15)6-13-12(17)11-4-3-5-16(9-11)20(2,18)19/h7-8,11H,3-6,9H2,1-2H3,(H,13,17)
InChIKeyUJOSWECLKVKTSG-UHFFFAOYSA-N
XLogP-0.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 19583552) is N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is Cn1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is UJOSWECLKVKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15-8-10(7-14-15)6-13-12(17)11-4-3-5-16(9-11)20(2,18)19/h7-8,11H,3-6,9H2,1-2H3,(H,13,17).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 19583552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).