4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide

C14H21N5O — CID 56782546

IUPAC4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
SMILESCc1nn(C)c(NC(=O)CCCn2ccnc2C)c1C
InChIInChI=1S/C14H21N5O/c1-10-11(2)17-18(4)14(10)16-13(20)6-5-8-19-9-7-15-12(19)3/h7,9H,5-6,8H2,1-4H3,(H,16,20)
InChIKeyKJMHFFYKQFQOGK-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.96
Rot. Bonds5

About 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide

4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide (PubChem CID 56782546) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
PubChem CID56782546
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
SMILESCc1nn(C)c(NC(=O)CCCn2ccnc2C)c1C
InChIInChI=1S/C14H21N5O/c1-10-11(2)17-18(4)14(10)16-13(20)6-5-8-19-9-7-15-12(19)3/h7,9H,5-6,8H2,1-4H3,(H,16,20)
InChIKeyKJMHFFYKQFQOGK-UHFFFAOYSA-N
XLogP1.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 51126229
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-methylimidazol-1-yl)acetamide
CID 134704405
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
CID 111471950
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide (CID 56782546) is 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide is Cc1nn(C)c(NC(=O)CCCn2ccnc2C)c1C.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
The InChIKey is KJMHFFYKQFQOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-11(2)17-18(4)14(10)16-13(20)6-5-8-19-9-7-15-12(19)3/h7,9H,5-6,8H2,1-4H3,(H,16,20).
What are the key properties of 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide has a molecular weight of 275.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide is sourced from PubChem (CID 56782546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).