N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide

C18H33N5O — CID 72881237

IUPACN-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCC[C@H]1CN(CC(C)(C)N)C[C@@H]1NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C18H33N5O/c1-5-6-15-11-22(13-18(3,4)19)12-16(15)20-17(24)8-10-23-9-7-14(2)21-23/h7,9,15-16H,5-6,8,10-13,19H2,1-4H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyGNSJJARNDBKESH-HOTGVXAUSA-N
MW335.50 g/mol
LogP1.54
Rot. Bonds8

About N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide

N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 72881237) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID72881237
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCC[C@H]1CN(CC(C)(C)N)C[C@@H]1NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C18H33N5O/c1-5-6-15-11-22(13-18(3,4)19)12-16(15)20-17(24)8-10-23-9-7-14(2)21-23/h7,9,15-16H,5-6,8,10-13,19H2,1-4H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyGNSJJARNDBKESH-HOTGVXAUSA-N
XLogP1.54
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide (CID 72881237) is N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide is CCC[C@H]1CN(CC(C)(C)N)C[C@@H]1NC(=O)CCn1ccc(C)n1.
What is the InChIKey of N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is GNSJJARNDBKESH-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H33N5O/c1-5-6-15-11-22(13-18(3,4)19)12-16(15)20-17(24)8-10-23-9-7-14(2)21-23/h7,9,15-16H,5-6,8,10-13,19H2,1-4H3,(H,20,24)/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 335.50 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 72881237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).