N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide

C25H25N3O2 — CID 37428862

IUPACN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H25N3O2/c1-19-24(20(2)28(26-19)22-12-7-4-8-13-22)16-25(29)27(18-23-14-9-15-30-23)17-21-10-5-3-6-11-21/h3-15H,16-18H2,1-2H3
InChIKeyNQKNYFVNIQVDEZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.85
Rot. Bonds7

About N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 37428862) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID37428862
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H25N3O2/c1-19-24(20(2)28(26-19)22-12-7-4-8-13-22)16-25(29)27(18-23-14-9-15-30-23)17-21-10-5-3-6-11-21/h3-15H,16-18H2,1-2H3
InChIKeyNQKNYFVNIQVDEZ-UHFFFAOYSA-N
XLogP4.85
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 34907626
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 56891070
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
methyl 3-[benzyl-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]amino]propanoate
CID 55758859
N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 167820118
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 51068930
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide (CID 37428862) is N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NQKNYFVNIQVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19-24(20(2)28(26-19)22-12-7-4-8-13-22)16-25(29)27(18-23-14-9-15-30-23)17-21-10-5-3-6-11-21/h3-15H,16-18H2,1-2H3.
What are the key properties of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 37428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).