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

C19H32N4O2 — CID 70788519

IUPACN-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1C[C@@H](NC(C)=O)[C@H](C(C)C)C1
InChIInChI=1S/C19H32N4O2/c1-7-23-18(9-15(21-23)8-12(2)3)19(25)22-10-16(13(4)5)17(11-22)20-14(6)24/h9,12-13,16-17H,7-8,10-11H2,1-6H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyAALGSRXDPQWWIE-DLBZAZTESA-N
MW348.49 g/mol
LogP2.33
Rot. Bonds6

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

N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70788519) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70788519
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1C[C@@H](NC(C)=O)[C@H](C(C)C)C1
InChIInChI=1S/C19H32N4O2/c1-7-23-18(9-15(21-23)8-12(2)3)19(25)22-10-16(13(4)5)17(11-22)20-14(6)24/h9,12-13,16-17H,7-8,10-11H2,1-6H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyAALGSRXDPQWWIE-DLBZAZTESA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70788519) is N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H](NC(C)=O)[C@H](C(C)C)C1.
What is the InChIKey of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is AALGSRXDPQWWIE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-7-23-18(9-15(21-23)8-12(2)3)19(25)22-10-16(13(4)5)17(11-22)20-14(6)24/h9,12-13,16-17H,7-8,10-11H2,1-6H3,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70788519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).