N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide

C15H24ClN5O2 — CID 72892559

IUPACN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCCC[C@H]1CN(CC(N)=O)C[C@@H]1NC(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C15H24ClN5O2/c1-4-5-10-6-21(8-12(17)22)7-11(10)18-15(23)14-13(16)9(2)20(3)19-14/h10-11H,4-8H2,1-3H3,(H2,17,22)(H,18,23)/t10-,11-/m0/s1
InChIKeyNSLYGBJOAFGBBY-QWRGUYRKSA-N
MW341.84 g/mol
LogP0.70
Rot. Bonds6

About N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide

N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 72892559) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide
PubChem CID72892559
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCCC[C@H]1CN(CC(N)=O)C[C@@H]1NC(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C15H24ClN5O2/c1-4-5-10-6-21(8-12(17)22)7-11(10)18-15(23)14-13(16)9(2)20(3)19-14/h10-11H,4-8H2,1-3H3,(H2,17,22)(H,18,23)/t10-,11-/m0/s1
InChIKeyNSLYGBJOAFGBBY-QWRGUYRKSA-N
XLogP0.70
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
N-(2-adamantyl)-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 832065
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
WO2021250648, Example 35
CID 162396402
WO2021250648, Example 72
CID 162396437
WO2021250648, Example 73
CID 162396438
4-chloro-1,5-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 4771563
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-ethyl-3-isopropyl-1H-pyrazole-5-carboxamide
CID 70768787
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide (CID 72892559) is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide is CCC[C@H]1CN(CC(N)=O)C[C@@H]1NC(=O)c1nn(C)c(C)c1Cl.
What is the InChIKey of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NSLYGBJOAFGBBY-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-4-5-10-6-21(8-12(17)22)7-11(10)18-15(23)14-13(16)9(2)20(3)19-14/h10-11H,4-8H2,1-3H3,(H2,17,22)(H,18,23)/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 0.70, 6 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-oxoethyl)-4-propylpyrrolidin-3-yl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 72892559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).