(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide

C17H30N4O2 — CID 97333226

IUPAC(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide
SMILESCO[C@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)C(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-11-15(12(2)20-19-11)13-8-7-9-21(13)16(22)18-10-14(23-6)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,22)(H,19,20)/t13-,14-/m1/s1
InChIKeyVIHFPXIFZILRBJ-ZIAGYGMSSA-N
MW322.45 g/mol
LogP2.93
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide (PubChem CID 97333226) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide
PubChem CID97333226
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide
SMILESCO[C@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)C(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-11-15(12(2)20-19-11)13-8-7-9-21(13)16(22)18-10-14(23-6)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,22)(H,19,20)/t13-,14-/m1/s1
InChIKeyVIHFPXIFZILRBJ-ZIAGYGMSSA-N
XLogP2.93
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide (CID 97333226) is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide is CO[C@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)C(C)(C)C.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide?
The InChIKey is VIHFPXIFZILRBJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11-15(12(2)20-19-11)13-8-7-9-21(13)16(22)18-10-14(23-6)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,22)(H,19,20)/t13-,14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide?
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97333226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).