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

C19H32N4O2 — CID 72883292

IUPACN-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(CC(C)C)nn2CC)C[C@H]1NC(C)=O
InChIInChI=1S/C19H32N4O2/c1-6-8-15-11-22(12-17(15)20-14(5)24)19(25)18-10-16(9-13(3)4)21-23(18)7-2/h10,13,15,17H,6-9,11-12H2,1-5H3,(H,20,24)/t15-,17-/m1/s1
InChIKeyZMQQDDYDGURDEK-NVXWUHKLSA-N
MW348.49 g/mol
LogP2.48
Rot. Bonds7

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

N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72883292) 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-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72883292
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(CC(C)C)nn2CC)C[C@H]1NC(C)=O
InChIInChI=1S/C19H32N4O2/c1-6-8-15-11-22(12-17(15)20-14(5)24)19(25)18-10-16(9-13(3)4)21-23(18)7-2/h10,13,15,17H,6-9,11-12H2,1-5H3,(H,20,24)/t15-,17-/m1/s1
InChIKeyZMQQDDYDGURDEK-NVXWUHKLSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.48
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-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide (CID 72883292) is N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)c2cc(CC(C)C)nn2CC)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is ZMQQDDYDGURDEK-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-6-8-15-11-22(12-17(15)20-14(5)24)19(25)18-10-16(9-13(3)4)21-23(18)7-2/h10,13,15,17H,6-9,11-12H2,1-5H3,(H,20,24)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.48, 7 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-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72883292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).