N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide

C14H24N4O2S — CID 106026808

IUPACN-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cnn(CCNC2CC2)c1
InChIInChI=1S/C14H24N4O2S/c19-21(20,17-9-12-3-1-2-4-12)14-10-16-18(11-14)8-7-15-13-5-6-13/h10-13,15,17H,1-9H2
InChIKeyRZCLKQUCXXQSIN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.10
Rot. Bonds8

About N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide

N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106026808) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106026808
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cnn(CCNC2CC2)c1
InChIInChI=1S/C14H24N4O2S/c19-21(20,17-9-12-3-1-2-4-12)14-10-16-18(11-14)8-7-15-13-5-6-13/h10-13,15,17H,1-9H2
InChIKeyRZCLKQUCXXQSIN-UHFFFAOYSA-N
XLogP1.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-[2-(cyclopropylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084404
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106411075
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539
1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106094798
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 83229001

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide (CID 106026808) is N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide is O=S(=O)(NCC1CCCC1)c1cnn(CCNC2CC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is RZCLKQUCXXQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c19-21(20,17-9-12-3-1-2-4-12)14-10-16-18(11-14)8-7-15-13-5-6-13/h10-13,15,17H,1-9H2.
What are the key properties of N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide?
N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).