2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide

C15H26N4O2 — CID 84595699

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCCC1c1c(C)n[nH]c1C
InChIInChI=1S/C15H26N4O2/c1-10-13(11(2)18-17-10)12-7-6-8-19(12)14(20)16-9-15(3,4)21-5/h12H,6-9H2,1-5H3,(H,16,20)(H,17,18)
InChIKeyODROWYSPMQWITD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.30
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 84595699) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID84595699
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCCC1c1c(C)n[nH]c1C
InChIInChI=1S/C15H26N4O2/c1-10-13(11(2)18-17-10)12-7-6-8-19(12)14(20)16-9-15(3,4)21-5/h12H,6-9H2,1-5H3,(H,16,20)(H,17,18)
InChIKeyODROWYSPMQWITD-UHFFFAOYSA-N
XLogP2.30
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide (CID 84595699) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide is COC(C)(C)CNC(=O)N1CCCC1c1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is ODROWYSPMQWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-13(11(2)18-17-10)12-7-6-8-19(12)14(20)16-9-15(3,4)21-5/h12H,6-9H2,1-5H3,(H,16,20)(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 84595699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).