N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide

C18H21N5O — CID 90652784

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCc2cnn(Cc3ccccc3)c2)c1C
InChIInChI=1S/C18H21N5O/c1-14-15(2)22(13-20-14)12-18(24)19-8-17-9-21-23(11-17)10-16-6-4-3-5-7-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,24)
InChIKeyBRURPECAYWIGHS-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.06
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 90652784) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID90652784
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCc2cnn(Cc3ccccc3)c2)c1C
InChIInChI=1S/C18H21N5O/c1-14-15(2)22(13-20-14)12-18(24)19-8-17-9-21-23(11-17)10-16-6-4-3-5-7-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,24)
InChIKeyBRURPECAYWIGHS-UHFFFAOYSA-N
XLogP2.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66309191
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 8943774
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 47035459
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 87007539
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 90652784) is N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)NCc2cnn(Cc3ccccc3)c2)c1C.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is BRURPECAYWIGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-15(2)22(13-20-14)12-18(24)19-8-17-9-21-23(11-17)10-16-6-4-3-5-7-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,24).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 90652784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).