N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide

C24H25N5O — CID 31031484

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H25N5O/c1-18-23(19(2)29(26-18)22-12-8-5-9-13-22)17-27(3)24(30)14-20-15-25-28(16-20)21-10-6-4-7-11-21/h4-13,15-16H,14,17H2,1-3H3
InChIKeyYNCWBPCYCBTULL-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.88
Rot. Bonds6

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 31031484) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID31031484
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H25N5O/c1-18-23(19(2)29(26-18)22-12-8-5-9-13-22)17-27(3)24(30)14-20-15-25-28(16-20)21-10-6-4-7-11-21/h4-13,15-16H,14,17H2,1-3H3
InChIKeyYNCWBPCYCBTULL-UHFFFAOYSA-N
XLogP3.88
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961867
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 38744068
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39442295
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide (CID 31031484) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is YNCWBPCYCBTULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-18-23(19(2)29(26-18)22-12-8-5-9-13-22)17-27(3)24(30)14-20-15-25-28(16-20)21-10-6-4-7-11-21/h4-13,15-16H,14,17H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 399.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 31031484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).