N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C15H24N4O3S — CID 70753264

IUPACN-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N4O3S/c1-3-5-10-8-19(9-13(10)18-23(2,21)22)15(20)14-11-6-4-7-12(11)16-17-14/h10,13,18H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyOQGVVUXLLKZRJR-ZWNOBZJWSA-N
MW340.45 g/mol
LogP0.69
Rot. Bonds5

About N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 70753264) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID70753264
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N4O3S/c1-3-5-10-8-19(9-13(10)18-23(2,21)22)15(20)14-11-6-4-7-12(11)16-17-14/h10,13,18H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyOQGVVUXLLKZRJR-ZWNOBZJWSA-N
XLogP0.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 70753264) is N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OQGVVUXLLKZRJR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-3-5-10-8-19(9-13(10)18-23(2,21)22)15(20)14-11-6-4-7-12(11)16-17-14/h10,13,18H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70753264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).