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

C14H24N4O2 — CID 110203560

IUPAC(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H24N4O2/c1-16(2)14(19)13-9-18(8-12(13)10-20-4)7-11-5-15-17(3)6-11/h5-6,12-13H,7-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyXGQMUBMBQLRXTM-QWHCGFSZSA-N
MW280.37 g/mol
LogP0.20
Rot. Bonds5

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

(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110203560) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110203560
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H24N4O2/c1-16(2)14(19)13-9-18(8-12(13)10-20-4)7-11-5-15-17(3)6-11/h5-6,12-13H,7-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyXGQMUBMBQLRXTM-QWHCGFSZSA-N
XLogP0.20
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 110203560) is (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is COC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C(=O)N(C)C.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XGQMUBMBQLRXTM-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16(2)14(19)13-9-18(8-12(13)10-20-4)7-11-5-15-17(3)6-11/h5-6,12-13H,7-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).