2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C16H28N4O2 — CID 75448419

IUPAC2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCCC2C(C)(C)O)n1
InChIInChI=1S/C16H28N4O2/c1-12(2)7-10-19-11-8-14(18-19)17-15(21)20-9-5-6-13(20)16(3,4)22/h8,11-13,22H,5-7,9-10H2,1-4H3,(H,17,18,21)
InChIKeyGPWXGZREUQXICG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 75448419) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID75448419
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCCC2C(C)(C)O)n1
InChIInChI=1S/C16H28N4O2/c1-12(2)7-10-19-11-8-14(18-19)17-15(21)20-9-5-6-13(20)16(3,4)22/h8,11-13,22H,5-7,9-10H2,1-4H3,(H,17,18,21)
InChIKeyGPWXGZREUQXICG-UHFFFAOYSA-N
XLogP2.70
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 75448419) is 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is CC(C)CCn1ccc(NC(=O)N2CCCC2C(C)(C)O)n1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is GPWXGZREUQXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)7-10-19-11-8-14(18-19)17-15(21)20-9-5-6-13(20)16(3,4)22/h8,11-13,22H,5-7,9-10H2,1-4H3,(H,17,18,21).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75448419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).