N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

C19H25FN4O2 — CID 70766409

IUPACN-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(F)cc1C)C2
InChIInChI=1S/C19H25FN4O2/c1-14-8-16(20)5-4-15(14)11-23-6-3-7-24-18(12-23)9-17(22-24)10-21-19(25)13-26-2/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,25)
InChIKeyXYAJCKUKCUUVPR-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.00
Rot. Bonds6

About N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 70766409) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID70766409
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(F)cc1C)C2
InChIInChI=1S/C19H25FN4O2/c1-14-8-16(20)5-4-15(14)11-23-6-3-7-24-18(12-23)9-17(22-24)10-21-19(25)13-26-2/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,25)
InChIKeyXYAJCKUKCUUVPR-UHFFFAOYSA-N
XLogP2.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide with MolForge

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Related Compounds

CID 45584792
CID 45584792
CID 50797909
CID 50797909
CID 53014806
CID 53014806
CID 53014809
CID 53014809
CID 53186282
CID 53186282
CID 53186314
CID 53186314
CID 70723918
CID 70723918
CID 70731562
CID 70731562
CID 72895141
CID 72895141
CID 176734275
CID 176734275
CID 53014798
CID 53014798
CID 53014800
CID 53014800

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (CID 70766409) is N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(F)cc1C)C2.
What is the InChIKey of N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is XYAJCKUKCUUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14-8-16(20)5-4-15(14)11-23-6-3-7-24-18(12-23)9-17(22-24)10-21-19(25)13-26-2/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,25).
What are the key properties of N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 360.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 70766409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).