N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide

C21H32N4O — CID 83283274

IUPACN-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
SMILESCCC(C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)C(C)C
InChIInChI=1S/C21H32N4O/c1-8-16(4)25(21(26)15(2)3)14-18-19(17-12-10-9-11-13-17)22-24(7)20(18)23(5)6/h9-13,15-16H,8,14H2,1-7H3
InChIKeyBKPFHZYYHXBULI-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.94
Rot. Bonds7

About N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide

N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 83283274) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
PubChem CID83283274
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
SMILESCCC(C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)C(C)C
InChIInChI=1S/C21H32N4O/c1-8-16(4)25(21(26)15(2)3)14-18-19(17-12-10-9-11-13-17)22-24(7)20(18)23(5)6/h9-13,15-16H,8,14H2,1-7H3
InChIKeyBKPFHZYYHXBULI-UHFFFAOYSA-N
XLogP3.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide (CID 83283274) is N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide is CCC(C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)C(C)C.
What is the InChIKey of N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is BKPFHZYYHXBULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-8-16(4)25(21(26)15(2)3)14-18-19(17-12-10-9-11-13-17)22-24(7)20(18)23(5)6/h9-13,15-16H,8,14H2,1-7H3.
What are the key properties of N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide?
N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 356.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 83283274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).