N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide

C18H21N5O — CID 72837726

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCc1cc(CC(C)NC(=O)Cn2ccnc2-c2ccccc2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-13(10-16-11-14(2)21-22-16)20-17(24)12-23-9-8-19-18(23)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyIPHGQLYXQVYQSD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.33
Rot. Bonds6

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 72837726) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID72837726
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCc1cc(CC(C)NC(=O)Cn2ccnc2-c2ccccc2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-13(10-16-11-14(2)21-22-16)20-17(24)12-23-9-8-19-18(23)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyIPHGQLYXQVYQSD-UHFFFAOYSA-N
XLogP2.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide (CID 72837726) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide is Cc1cc(CC(C)NC(=O)Cn2ccnc2-c2ccccc2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is IPHGQLYXQVYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(10-16-11-14(2)21-22-16)20-17(24)12-23-9-8-19-18(23)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 72837726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).