N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide

C15H15F2N3O2 — CID 138033641

IUPACN-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCOC2)NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O2/c16-12-3-10(4-13(17)5-12)6-18-15(21)8-20-7-11-9-22-2-1-14(11)19-20/h3-5,7H,1-2,6,8-9H2,(H,18,21)
InChIKeyZNWKNVURHNLXLL-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.55
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide

N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide (PubChem CID 138033641) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide
PubChem CID138033641
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCOC2)NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O2/c16-12-3-10(4-13(17)5-12)6-18-15(21)8-20-7-11-9-22-2-1-14(11)19-20/h3-5,7H,1-2,6,8-9H2,(H,18,21)
InChIKeyZNWKNVURHNLXLL-UHFFFAOYSA-N
XLogP1.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892369
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892336
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)-N-methylacetamide
CID 20892501
(3,5-difluorophenyl)methylurea
CID 112708056
1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 60501946
1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
CID 90615392
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841318
N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136073

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide (CID 138033641) is N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCOC2)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide?
The InChIKey is ZNWKNVURHNLXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-12-3-10(4-13(17)5-12)6-18-15(21)8-20-7-11-9-22-2-1-14(11)19-20/h3-5,7H,1-2,6,8-9H2,(H,18,21).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide?
N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide has a molecular weight of 307.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 138033641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).