(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

C15H26N4O2 — CID 110203563

IUPAC(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C15H26N4O2/c1-11-12(6-18(4)16-11)7-19-8-13(10-21-5)14(9-19)15(20)17(2)3/h6,13-14H,7-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyFRIPIYUBZVKUFN-UONOGXRCSA-N
MW294.40 g/mol
LogP0.51
Rot. Bonds5

About (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 110203563) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID110203563
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C15H26N4O2/c1-11-12(6-18(4)16-11)7-19-8-13(10-21-5)14(9-19)15(20)17(2)3/h6,13-14H,7-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyFRIPIYUBZVKUFN-UONOGXRCSA-N
XLogP0.51
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 110203563) is (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is COC[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1C(=O)N(C)C.
What is the InChIKey of (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is FRIPIYUBZVKUFN-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-12(6-18(4)16-11)7-19-8-13(10-21-5)14(9-19)15(20)17(2)3/h6,13-14H,7-10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).