N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide

C22H21N5O2 — CID 56891776

IUPACN-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ccnc2-c2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C22H21N5O2/c1-15-20(22(29)27(25(15)3)18-9-5-4-6-10-18)21-23-12-13-26(21)19-11-7-8-17(14-19)24-16(2)28/h4-14H,1-3H3,(H,24,28)
InChIKeyPNPNVPLUGZQVCM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.30
Rot. Bonds4

About N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide

N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide (PubChem CID 56891776) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide
PubChem CID56891776
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ccnc2-c2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C22H21N5O2/c1-15-20(22(29)27(25(15)3)18-9-5-4-6-10-18)21-23-12-13-26(21)19-11-7-8-17(14-19)24-16(2)28/h4-14H,1-3H3,(H,24,28)
InChIKeyPNPNVPLUGZQVCM-UHFFFAOYSA-N
XLogP3.30
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide (CID 56891776) is N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2ccnc2-c2c(C)n(C)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide?
The InChIKey is PNPNVPLUGZQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-20(22(29)27(25(15)3)18-9-5-4-6-10-18)21-23-12-13-26(21)19-11-7-8-17(14-19)24-16(2)28/h4-14H,1-3H3,(H,24,28).
What are the key properties of N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide?
N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 56891776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).