2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide

C16H22N4O — CID 110121736

IUPAC2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)18-16(21)14-7-5-6-8-15(14)20-11-13(9-17-20)10-19(3)4/h5-9,11-12H,10H2,1-4H3,(H,18,21)
InChIKeyJEOVYELLBJIDQT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.07
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide

2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide (PubChem CID 110121736) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
PubChem CID110121736
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)18-16(21)14-7-5-6-8-15(14)20-11-13(9-17-20)10-19(3)4/h5-9,11-12H,10H2,1-4H3,(H,18,21)
InChIKeyJEOVYELLBJIDQT-UHFFFAOYSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 110121793
N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121689
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
CID 110121807
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271515
methyl 2-(4-aminopyrazol-1-yl)benzoate
CID 131512401
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 110121728
2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 17419291
1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365533
N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034454
N-[3-methyl-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51237828

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide (CID 110121736) is 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1-n1cc(CN(C)C)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is JEOVYELLBJIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)18-16(21)14-7-5-6-8-15(14)20-11-13(9-17-20)10-19(3)4/h5-9,11-12H,10H2,1-4H3,(H,18,21).
What are the key properties of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide?
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 110121736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).