N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide

C18H21N5O — CID 46980269

IUPACN-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cncc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H21N5O/c1-18(2,3)21-17(24)12-22-13-19-10-16(22)14-9-20-23(11-14)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyRUZVNXDAQQGANS-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.65
Rot. Bonds4

About N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide

N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide (PubChem CID 46980269) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide
PubChem CID46980269
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cncc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H21N5O/c1-18(2,3)21-17(24)12-22-13-19-10-16(22)14-9-20-23(11-14)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyRUZVNXDAQQGANS-UHFFFAOYSA-N
XLogP2.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 51075473
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8547505
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
(3S)-1,1-dioxo-N-[2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]thiolan-3-amine
CID 92628666
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285
N-tert-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587154
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-methyl-3-(5-phenylimidazol-1-yl)propanamide
CID 58294227
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 18118141

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide (CID 46980269) is N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1cncc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide?
The InChIKey is RUZVNXDAQQGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,3)21-17(24)12-22-13-19-10-16(22)14-9-20-23(11-14)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide?
N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 46980269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).