[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C17H20F2N4O — CID 75387303

IUPAC[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(C)CC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N4O/c1-12-10-15(17(24)22-7-3-6-21(2)8-9-22)20-23(12)16-5-4-13(18)11-14(16)19/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyUFUQVNQFOQHTJG-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.24
Rot. Bonds2

About [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 75387303) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID75387303
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(C)CC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N4O/c1-12-10-15(17(24)22-7-3-6-21(2)8-9-22)20-23(12)16-5-4-13(18)11-14(16)19/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyUFUQVNQFOQHTJG-UHFFFAOYSA-N
XLogP2.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169460
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
CID 166210339
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804335
[4-(2,2-dimethylpropyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 110629418
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99632374
1-(2,4-difluorophenyl)-5-methyl-N,N-bis(prop-2-ynyl)pyrazole-3-carboxamide
CID 75387472
1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110676727
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-2-pyridinyl)methanone
CID 97240980

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 75387303) is [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is Cc1cc(C(=O)N2CCCN(C)CC2)nn1-c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is UFUQVNQFOQHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-12-10-15(17(24)22-7-3-6-21(2)8-9-22)20-23(12)16-5-4-13(18)11-14(16)19/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 334.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 75387303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).