(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide

C17H24N6O2 — CID 134804682

IUPAC(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C17H24N6O2/c1-11-14(12(2)22-21-11)6-20-17(24)15-9-23(8-13(15)10-25-3)16-7-18-4-5-19-16/h4-5,7,13,15H,6,8-10H2,1-3H3,(H,20,24)(H,21,22)/t13-,15+/m0/s1
InChIKeyVXVNEEHHUOTDKV-DZGCQCFKSA-N
MW344.42 g/mol
LogP0.83
Rot. Bonds6

About (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide (PubChem CID 134804682) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide
PubChem CID134804682
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C17H24N6O2/c1-11-14(12(2)22-21-11)6-20-17(24)15-9-23(8-13(15)10-25-3)16-7-18-4-5-19-16/h4-5,7,13,15H,6,8-10H2,1-3H3,(H,20,24)(H,21,22)/t13-,15+/m0/s1
InChIKeyVXVNEEHHUOTDKV-DZGCQCFKSA-N
XLogP0.83
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide (CID 134804682) is (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide is COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCc1c(C)n[nH]c1C.
What is the InChIKey of (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VXVNEEHHUOTDKV-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-14(12(2)22-21-11)6-20-17(24)15-9-23(8-13(15)10-25-3)16-7-18-4-5-19-16/h4-5,7,13,15H,6,8-10H2,1-3H3,(H,20,24)(H,21,22)/t13-,15+/m0/s1.
What are the key properties of (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134804682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).