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

C17H30N4O2 — CID 97333211

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
SMILESCOC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C
InChIInChI=1S/C17H30N4O2/c1-11(10-17(4,5)23-6)18-16(22)21-9-7-8-14(21)15-12(2)19-20-13(15)3/h11,14H,7-10H2,1-6H3,(H,18,22)(H,19,20)/t11-,14+/m1/s1
InChIKeyUFHGTAZCULRERM-RISCZKNCSA-N
MW322.45 g/mol
LogP3.08
Rot. Bonds5

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

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 97333211) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID97333211
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
SMILESCOC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C
InChIInChI=1S/C17H30N4O2/c1-11(10-17(4,5)23-6)18-16(22)21-9-7-8-14(21)15-12(2)19-20-13(15)3/h11,14H,7-10H2,1-6H3,(H,18,22)(H,19,20)/t11-,14+/m1/s1
InChIKeyUFHGTAZCULRERM-RISCZKNCSA-N
XLogP3.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide (CID 97333211) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide is COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is UFHGTAZCULRERM-RISCZKNCSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(10-17(4,5)23-6)18-16(22)21-9-7-8-14(21)15-12(2)19-20-13(15)3/h11,14H,7-10H2,1-6H3,(H,18,22)(H,19,20)/t11-,14+/m1/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97333211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).