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

C13H24N4O2S — CID 106027031

IUPACN-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)NCc1cn[nH]c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-10(2)14-8-12-9-15-17-13(12)20(18,19)16-7-11-5-3-4-6-11/h9-11,14,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyIOSQCHQQURDFBC-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.38
Rot. Bonds7

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

N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106027031) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106027031
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)NCc1cn[nH]c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-10(2)14-8-12-9-15-17-13(12)20(18,19)16-7-11-5-3-4-6-11/h9-11,14,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyIOSQCHQQURDFBC-UHFFFAOYSA-N
XLogP1.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
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-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 107402807
N-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106091929
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106088314
N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106026792
4-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106018506
4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (CID 106027031) is N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is CC(C)NCc1cn[nH]c1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is IOSQCHQQURDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)14-8-12-9-15-17-13(12)20(18,19)16-7-11-5-3-4-6-11/h9-11,14,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106027031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).