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

C16H28N4O2 — CID 110019824

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC(C(C)O)C2)n(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O2/c1-11-8-14(20(18-11)16(3,4)5)17-15(22)10-19-7-6-13(9-19)12(2)21/h8,12-13,21H,6-7,9-10H2,1-5H3,(H,17,22)
InChIKeyZZWMBXSNHTWGFI-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.59
Rot. Bonds4

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

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 110019824) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID110019824
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC(C(C)O)C2)n(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O2/c1-11-8-14(20(18-11)16(3,4)5)17-15(22)10-19-7-6-13(9-19)12(2)21/h8,12-13,21H,6-7,9-10H2,1-5H3,(H,17,22)
InChIKeyZZWMBXSNHTWGFI-UHFFFAOYSA-N
XLogP1.59
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47544876
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 78889403
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 120762117
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504087
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide;dihydrochloride
CID 120762116
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111123048
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 110019824) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCC(C(C)O)C2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZZWMBXSNHTWGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-8-14(20(18-11)16(3,4)5)17-15(22)10-19-7-6-13(9-19)12(2)21/h8,12-13,21H,6-7,9-10H2,1-5H3,(H,17,22).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.59, 4 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-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110019824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).