N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C18H32N4O3S — CID 133132402

IUPACN-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1
InChIInChI=1S/C18H32N4O3S/c1-7-22-17(9-14(19-22)8-12(2)3)18(23)21-10-15(13(4)5)16(11-21)20-26(6,24)25/h9,12-13,15-16,20H,7-8,10-11H2,1-6H3/t15-,16+/m1/s1
InChIKeyRVLNVYKQLHVHKM-CVEARBPZSA-N
MW384.55 g/mol
LogP1.75
Rot. Bonds7

About N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 133132402) has the molecular formula C18H32N4O3S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID133132402
Molecular FormulaC18H32N4O3S
Molecular Weight384.55 g/mol
Exact Mass384.22
IUPAC NameN-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1
InChIInChI=1S/C18H32N4O3S/c1-7-22-17(9-14(19-22)8-12(2)3)18(23)21-10-15(13(4)5)16(11-21)20-26(6,24)25/h9,12-13,15-16,20H,7-8,10-11H2,1-6H3/t15-,16+/m1/s1
InChIKeyRVLNVYKQLHVHKM-CVEARBPZSA-N
XLogP1.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 133132402) is N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CCn1nc(CC(C)C)cc1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1.
What is the InChIKey of N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RVLNVYKQLHVHKM-CVEARBPZSA-N. The full InChI is InChI=1S/C18H32N4O3S/c1-7-22-17(9-14(19-22)8-12(2)3)18(23)21-10-15(13(4)5)16(11-21)20-26(6,24)25/h9,12-13,15-16,20H,7-8,10-11H2,1-6H3/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133132402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).