N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

C14H26N4O2S — CID 107402807

IUPACN-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1[nH]ncc1CNC(C)C
InChIInChI=1S/C14H26N4O2S/c1-4-18(10-12-6-5-7-12)21(19,20)14-13(9-16-17-14)8-15-11(2)3/h9,11-12,15H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyQNXGSFSPDQHGPF-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.72
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 107402807) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID107402807
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1[nH]ncc1CNC(C)C
InChIInChI=1S/C14H26N4O2S/c1-4-18(10-12-6-5-7-12)21(19,20)14-13(9-16-17-14)8-15-11(2)3/h9,11-12,15H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyQNXGSFSPDQHGPF-UHFFFAOYSA-N
XLogP1.72
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107397572
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 107402936
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106055677
N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106078834
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106086089
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
CID 103504276

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (CID 107402807) is N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1[nH]ncc1CNC(C)C.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is QNXGSFSPDQHGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-18(10-12-6-5-7-12)21(19,20)14-13(9-16-17-14)8-15-11(2)3/h9,11-12,15H,4-8,10H2,1-3H3,(H,16,17).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107402807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).