1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide

C20H29N3O2S — CID 42346854

IUPAC1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C20H29N3O2S/c1-3-14-22(15-4-2)26(24,25)19-16-23(18-12-8-9-13-18)21-20(19)17-10-6-5-7-11-17/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3
InChIKeyDOFBQXAKNZNPOS-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.48
Rot. Bonds8

About 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide

1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide (PubChem CID 42346854) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
PubChem CID42346854
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C20H29N3O2S/c1-3-14-22(15-4-2)26(24,25)19-16-23(18-12-8-9-13-18)21-20(19)17-10-6-5-7-11-17/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3
InChIKeyDOFBQXAKNZNPOS-UHFFFAOYSA-N
XLogP4.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide (CID 42346854) is 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide is CCCN(CCC)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide?
The InChIKey is DOFBQXAKNZNPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-3-14-22(15-4-2)26(24,25)19-16-23(18-12-8-9-13-18)21-20(19)17-10-6-5-7-11-17/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide?
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide has a molecular weight of 375.54 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide is sourced from PubChem (CID 42346854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).