N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide

C15H23N5O — CID 56783099

IUPACN-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1ccn(C(C)(C)C)n1
InChIInChI=1S/C15H23N5O/c1-12-16-8-11-19(12)9-5-6-14(21)17-13-7-10-20(18-13)15(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18,21)
InChIKeyVWCCRSCBTZVGFP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.56
Rot. Bonds5

About N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide

N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 56783099) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
PubChem CID56783099
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1ccn(C(C)(C)C)n1
InChIInChI=1S/C15H23N5O/c1-12-16-8-11-19(12)9-5-6-14(21)17-13-7-10-20(18-13)15(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18,21)
InChIKeyVWCCRSCBTZVGFP-UHFFFAOYSA-N
XLogP2.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
CID 56782546
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 51126229
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 91834462
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131908904

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide (CID 56783099) is N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)Nc1ccn(C(C)(C)C)n1.
What is the InChIKey of N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is VWCCRSCBTZVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-16-8-11-19(12)9-5-6-14(21)17-13-7-10-20(18-13)15(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18,21).
What are the key properties of N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide?
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 289.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 56783099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).