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

C16H21N3O2 — CID 79377189

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-4-19(11-16(2,3)21)15(20)14-10-13(17-18-14)12-8-6-5-7-9-12/h5-10,21H,4,11H2,1-3H3,(H,17,18)
InChIKeyNJLXNUYLSYMTOS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds5

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

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 79377189) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID79377189
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-4-19(11-16(2,3)21)15(20)14-10-13(17-18-14)12-8-6-5-7-9-12/h5-10,21H,4,11H2,1-3H3,(H,17,18)
InChIKeyNJLXNUYLSYMTOS-UHFFFAOYSA-N
XLogP2.31
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 39584379
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 39947953
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 111596080

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 79377189) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is NJLXNUYLSYMTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(11-16(2,3)21)15(20)14-10-13(17-18-14)12-8-6-5-7-9-12/h5-10,21H,4,11H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 5 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)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 79377189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).