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

C26H34N4O — CID 51068583

IUPACN-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1
InChIInChI=1S/C26H34N4O/c1-19(2)17-29(26(31)21-13-9-7-10-14-21)18-23-24(20(3)4)27-30(25(23)28(5)6)22-15-11-8-12-16-22/h7-16,19-20H,17-18H2,1-6H3
InChIKeyFHMYZHNNOUOJMJ-UHFFFAOYSA-N
MW418.59 g/mol
LogP5.36
Rot. Bonds8

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

N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 51068583) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID51068583
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1
InChIInChI=1S/C26H34N4O/c1-19(2)17-29(26(31)21-13-9-7-10-14-21)18-23-24(20(3)4)27-30(25(23)28(5)6)22-15-11-8-12-16-22/h7-16,19-20H,17-18H2,1-6H3
InChIKeyFHMYZHNNOUOJMJ-UHFFFAOYSA-N
XLogP5.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 51068583) is N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is FHMYZHNNOUOJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-19(2)17-29(26(31)21-13-9-7-10-14-21)18-23-24(20(3)4)27-30(25(23)28(5)6)22-15-11-8-12-16-22/h7-16,19-20H,17-18H2,1-6H3.
What are the key properties of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 418.59 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 51068583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).