N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide

C11H19N3O2 — CID 111596679

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-5-14(7-11(3,4)16)10(15)9-6-8(2)12-13-9/h6,16H,5,7H2,1-4H3,(H,12,13)
InChIKeySXIVTUJGUIWFHB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.95
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 111596679) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID111596679
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-5-14(7-11(3,4)16)10(15)9-6-8(2)12-13-9/h6,16H,5,7H2,1-4H3,(H,12,13)
InChIKeySXIVTUJGUIWFHB-UHFFFAOYSA-N
XLogP0.95
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 852807
5-methyl-N-(6-sulfanylhexyl)-1H-pyrazole-3-carboxamide
CID 127027020
US10022354, Example 171
CID 121279614
N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 53017399
N,N-dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1229878
N3,N5-dimethyl-1H-pyrazole-3,5-dicarboxamide
CID 85679562
N-[2-(1-cyclohexen-1-yl)ethyl]-3-propyl-1H-pyrazole-5-carboxamide
CID 37201814
1-Ethyl-4-(3-methyl-1H-pyrazole-5-carbonyl)piperazine
CID 53017422
(3R*,4R*)-3-cyclopropyl-1-[(3-isopropyl-1H-pyrazol-5-yl)carbonyl]-4-methylpyrrolidin-3-ol
CID 70780375
(4-fluoropiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 172435434
3-Methyl-N-(propan-2-YL)-1H-pyrazole-5-carboxamide
CID 53017378
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 6622359

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 111596679) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is SXIVTUJGUIWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14(7-11(3,4)16)10(15)9-6-8(2)12-13-9/h6,16H,5,7H2,1-4H3,(H,12,13).
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111596679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).