N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide

C17H20FN5O2 — CID 119044099

IUPACN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide
SMILESCc1c(NC(=O)N2CCCN(C)C(=O)C2)cnn1-c1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-12-14(10-19-23(12)15-7-4-3-6-13(15)18)20-17(25)22-9-5-8-21(2)16(24)11-22/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,25)
InChIKeyZTVOQMGBGASZHB-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.02
Rot. Bonds2

About N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide

N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide (PubChem CID 119044099) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide
PubChem CID119044099
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide
SMILESCc1c(NC(=O)N2CCCN(C)C(=O)C2)cnn1-c1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-12-14(10-19-23(12)15-7-4-3-6-13(15)18)20-17(25)22-9-5-8-21(2)16(24)11-22/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,25)
InChIKeyZTVOQMGBGASZHB-UHFFFAOYSA-N
XLogP2.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
(3aR,6aR)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 128618290
1-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122087350
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
(2S,3S)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-methyloxane-3-carboxamide
CID 129400162
4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
CID 99581597
5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
CID 99626490
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55520901
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide (CID 119044099) is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide is Cc1c(NC(=O)N2CCCN(C)C(=O)C2)cnn1-c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is ZTVOQMGBGASZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12-14(10-19-23(12)15-7-4-3-6-13(15)18)20-17(25)22-9-5-8-21(2)16(24)11-22/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,25).
What are the key properties of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide?
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 119044099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).