N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

C25H32N4O — CID 51068736

IUPACN-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H32N4O/c1-6-23-22(24(27(4)5)29(26-23)21-15-11-8-12-16-21)18-28(17-19(2)3)25(30)20-13-9-7-10-14-20/h7-16,19H,6,17-18H2,1-5H3
InChIKeyFFDZWSUCBUWMBI-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.80
Rot. Bonds8

About N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 51068736) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID51068736
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H32N4O/c1-6-23-22(24(27(4)5)29(26-23)21-15-11-8-12-16-21)18-28(17-19(2)3)25(30)20-13-9-7-10-14-20/h7-16,19H,6,17-18H2,1-5H3
InChIKeyFFDZWSUCBUWMBI-UHFFFAOYSA-N
XLogP4.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 51068736) is N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is CCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is FFDZWSUCBUWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-6-23-22(24(27(4)5)29(26-23)21-15-11-8-12-16-21)18-28(17-19(2)3)25(30)20-13-9-7-10-14-20/h7-16,19H,6,17-18H2,1-5H3.
What are the key properties of N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 404.56 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 51068736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).