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

C23H36N4O — CID 51068585

IUPACN-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide
SMILESCCC(C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)C(C)C
InChIInChI=1S/C23H36N4O/c1-9-18(6)26(23(28)17(4)5)15-20-21(16(2)3)24-27(22(20)25(7)8)19-13-11-10-12-14-19/h10-14,16-18H,9,15H2,1-8H3
InChIKeyKABHULMNJALTAT-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.84
Rot. Bonds8

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

N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 51068585) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide
PubChem CID51068585
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide
SMILESCCC(C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)C(C)C
InChIInChI=1S/C23H36N4O/c1-9-18(6)26(23(28)17(4)5)15-20-21(16(2)3)24-27(22(20)25(7)8)19-13-11-10-12-14-19/h10-14,16-18H,9,15H2,1-8H3
InChIKeyKABHULMNJALTAT-UHFFFAOYSA-N
XLogP4.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.84
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-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide (CID 51068585) is N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide is CCC(C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)C(C)C.
What is the InChIKey of N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is KABHULMNJALTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-9-18(6)26(23(28)17(4)5)15-20-21(16(2)3)24-27(22(20)25(7)8)19-13-11-10-12-14-19/h10-14,16-18H,9,15H2,1-8H3.
What are the key properties of N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide?
N-butan-2-yl-N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 384.57 g/mol, XLogP of 4.84, 8 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-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 51068585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).