N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide

C16H21N5O2S — CID 167775053

IUPACN-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
SMILESO=S(=O)(NC(c1ccncc1)C1CCC1)c1cnn2c1CNCC2
InChIInChI=1S/C16H21N5O2S/c22-24(23,15-11-19-21-9-8-18-10-14(15)21)20-16(12-2-1-3-12)13-4-6-17-7-5-13/h4-7,11-12,16,18,20H,1-3,8-10H2
InChIKeyLAOHICYQMFQCBU-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.20
Rot. Bonds5

About N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide

N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide (PubChem CID 167775053) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide.

Molecular Properties

Compound NameN-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
PubChem CID167775053
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
SMILESO=S(=O)(NC(c1ccncc1)C1CCC1)c1cnn2c1CNCC2
InChIInChI=1S/C16H21N5O2S/c22-24(23,15-11-19-21-9-8-18-10-14(15)21)20-16(12-2-1-3-12)13-4-6-17-7-5-13/h4-7,11-12,16,18,20H,1-3,8-10H2
InChIKeyLAOHICYQMFQCBU-UHFFFAOYSA-N
XLogP1.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide 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-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The IUPAC name of N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide (CID 167775053) is N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide.
What is the SMILES notation for N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The canonical SMILES for N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide is O=S(=O)(NC(c1ccncc1)C1CCC1)c1cnn2c1CNCC2.
What is the InChIKey of N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The InChIKey is LAOHICYQMFQCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c22-24(23,15-11-19-21-9-8-18-10-14(15)21)20-16(12-2-1-3-12)13-4-6-17-7-5-13/h4-7,11-12,16,18,20H,1-3,8-10H2.
What are the key properties of N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide is sourced from PubChem (CID 167775053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).