N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C17H30N4O2 — CID 111123048

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCCC2CCCO)n(C(C)(C)C)n1
InChIInChI=1S/C17H30N4O2/c1-13-11-15(21(19-13)17(2,3)4)18-16(23)12-20-9-5-7-14(20)8-6-10-22/h11,14,22H,5-10,12H2,1-4H3,(H,18,23)
InChIKeyQQQOPDNIQCMNEI-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.12
Rot. Bonds6

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 111123048) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID111123048
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCCC2CCCO)n(C(C)(C)C)n1
InChIInChI=1S/C17H30N4O2/c1-13-11-15(21(19-13)17(2,3)4)18-16(23)12-20-9-5-7-14(20)8-6-10-22/h11,14,22H,5-10,12H2,1-4H3,(H,18,23)
InChIKeyQQQOPDNIQCMNEI-UHFFFAOYSA-N
XLogP2.12
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 111123048) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCCC2CCCO)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is QQQOPDNIQCMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-11-15(21(19-13)17(2,3)4)18-16(23)12-20-9-5-7-14(20)8-6-10-22/h11,14,22H,5-10,12H2,1-4H3,(H,18,23).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111123048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).