(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide

C14H22N4O3 — CID 110203522

IUPAC(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1COC
InChIInChI=1S/C14H22N4O3/c1-10-4-16-18(5-10)8-13(19)17-6-11(9-21-3)12(7-17)14(20)15-2/h4-5,11-12H,6-9H2,1-3H3,(H,15,20)/t11-,12+/m0/s1
InChIKeyFDTSHGLCOMRKFD-NWDGAFQWSA-N
MW294.35 g/mol
LogP-0.34
Rot. Bonds5

About (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 110203522) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
PubChem CID110203522
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1COC
InChIInChI=1S/C14H22N4O3/c1-10-4-16-18(5-10)8-13(19)17-6-11(9-21-3)12(7-17)14(20)15-2/h4-5,11-12H,6-9H2,1-3H3,(H,15,20)/t11-,12+/m0/s1
InChIKeyFDTSHGLCOMRKFD-NWDGAFQWSA-N
XLogP-0.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53626853
(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422243
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
N-{4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923204
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-2-(4-methyl-1H-pyrazol-1-YL)acetamide
CID 91923207
(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203516
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 110203520
4-(Methoxymethyl)-N-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110203525
(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 110203558
(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 110203560
(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 110203742

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide (CID 110203522) is (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is FDTSHGLCOMRKFD-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-4-16-18(5-10)8-13(19)17-6-11(9-21-3)12(7-17)14(20)15-2/h4-5,11-12H,6-9H2,1-3H3,(H,15,20)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).