N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide

C17H23N3O2 — CID 111542921

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)13-19(3)16(21)10-9-14-11-18-20(12-14)15-7-5-4-6-8-15/h4-8,11-12,22H,9-10,13H2,1-3H3
InChIKeyGBVVROKAPFIVPE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 111542921) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID111542921
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)13-19(3)16(21)10-9-14-11-18-20(12-14)15-7-5-4-6-8-15/h4-8,11-12,22H,9-10,13H2,1-3H3
InChIKeyGBVVROKAPFIVPE-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24515240
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 18103199
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 27793538
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 137294411
N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 56532369
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962000

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide (CID 111542921) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide is CN(CC(C)(C)O)C(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is GBVVROKAPFIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,22)13-19(3)16(21)10-9-14-11-18-20(12-14)15-7-5-4-6-8-15/h4-8,11-12,22H,9-10,13H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 111542921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).