3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide

C18H23N5O3 — CID 99927250

IUPAC3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCOCCN1C[C@H](CNC(=O)c2[nH]nc(N)c2-c2ccccc2)CC1=O
InChIInChI=1S/C18H23N5O3/c1-26-8-7-23-11-12(9-14(23)24)10-20-18(25)16-15(17(19)22-21-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,25)(H3,19,21,22)/t12-/m0/s1
InChIKeyPKPMBBOVWJHZFB-LBPRGKRZSA-N
MW357.41 g/mol
LogP0.88
Rot. Bonds7

About 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide

3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 99927250) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID99927250
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCOCCN1C[C@H](CNC(=O)c2[nH]nc(N)c2-c2ccccc2)CC1=O
InChIInChI=1S/C18H23N5O3/c1-26-8-7-23-11-12(9-14(23)24)10-20-18(25)16-15(17(19)22-21-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,25)(H3,19,21,22)/t12-/m0/s1
InChIKeyPKPMBBOVWJHZFB-LBPRGKRZSA-N
XLogP0.88
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 99927250) is 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide is COCCN1C[C@H](CNC(=O)c2[nH]nc(N)c2-c2ccccc2)CC1=O.
What is the InChIKey of 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is PKPMBBOVWJHZFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-26-8-7-23-11-12(9-14(23)24)10-20-18(25)16-15(17(19)22-21-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,25)(H3,19,21,22)/t12-/m0/s1.
What are the key properties of 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99927250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).